3N6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N8 | C6 | sing | 1.47Å | 1.51Å | |
| C6 | C43 | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | N8 | sing | 1.35Å | 1.39Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C11 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | O10 | doub | 1.21Å | 1.23Å | |
| C13 | C11 | sing | 1.53Å | 1.48Å | |
| C11 | N23 | sing | 1.46Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | doub | 1.38Å | 1.44Å | Aromatic |
| C14 | C22 | sing | 1.38Å | 1.48Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| BR17 | C16 | sing | 1.89Å | 1.81Å | |
| C16 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| O19 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C20 | sing | 1.39Å | 1.47Å | Aromatic |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| C20 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | BR21 | sing | 1.89Å | 1.83Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N23 | C24 | sing | 1.35Å | 1.35Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| O25 | C24 | doub | 1.22Å | 1.21Å | |
| C24 | N26 | sing | 1.35Å | 1.38Å | |
| N26 | C27 | sing | 1.47Å | 1.41Å | |
| N26 | C31 | sing | 1.47Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.48Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.47Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | N32 | sing | 1.46Å | 1.49Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.54Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| N32 | C41 | sing | 1.35Å | 1.38Å | |
| N32 | C33 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.51Å | 1.49Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C39 | C34 | doub | 1.39Å | 1.48Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C36 | sing | 1.38Å | 1.49Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | C38 | sing | 1.39Å | 1.47Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N40 | C39 | sing | 1.39Å | 1.41Å | |
| C41 | N40 | sing | 1.34Å | 1.32Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| O42 | C41 | doub | 1.22Å | 1.26Å | |
| O44 | C43 | doub | 1.21Å | 1.31Å | |
| C43 | N45 | sing | 1.35Å | 1.33Å | |
| N45 | C46 | sing | 1.47Å | 1.53Å | |
| N45 | C50 | sing | 1.47Å | 1.52Å | |
| C46 | C47 | sing | 1.53Å | 1.54Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | N48 | sing | 1.47Å | 1.49Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C49 | N48 | sing | 1.47Å | 1.49Å | |
| N48 | C51 | sing | 1.39Å | 1.36Å | |
| C50 | C49 | sing | 1.54Å | 1.50Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | C52 | doub | 1.39Å | 1.54Å | Aromatic |
| C51 | C56 | sing | 1.40Å | 1.52Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | N54 | doub | 1.32Å | 1.45Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | N54 | sing | 1.32Å | 1.45Å | Aromatic |
| C56 | C55 | doub | 1.38Å | 1.45Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | C3 | 111.1° | 109.5° |
| N1 | C2 | H2 | 108.9° | 109.5° |
| N1 | C2 | H2A | 108.9° | 109.5° |
| HN1 | N1 | HN1A | 109.4° | 111.1° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C3 | C2 | H2A | 108.9° | 109.4° |
| C2 | C3 | C4 | 107.4° | 109.5° |
| C2 | C3 | H3 | 110.2° | 109.5° |
| C2 | C3 | H3A | 110.2° | 109.4° |
| H2 | C2 | H2A | 110.0° | 109.5° |
| C4 | C3 | H3 | 110.2° | 109.5° |
| C4 | C3 | H3A | 110.2° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.5° |
| H3 | C3 | H3A | 108.7° | 109.4° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C5 | C4 | H4A | 109.4° | 109.4° |
| C4 | C5 | C6 | 108.7° | 109.5° |
| C4 | C5 | H5 | 109.7° | 109.5° |
| C4 | C5 | H5A | 109.7° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| C6 | C5 | H5 | 109.7° | 109.5° |
| C6 | C5 | H5A | 109.7° | 109.5° |
| C5 | C6 | N8 | 110.3° | 109.5° |
| C5 | C6 | C43 | 112.1° | 109.5° |
| C5 | C6 | H6 | 105.6° | 109.5° |
| H5 | C5 | H5A | 109.2° | 109.4° |
| N8 | C6 | C43 | 104.4° | 109.4° |
| N8 | C6 | H6 | 113.2° | 109.4° |
| C6 | N8 | C9 | 123.6° | 120.0° |
| C6 | N8 | HN8 | 118.2° | 120.0° |
| C43 | C6 | H6 | 111.4° | 109.5° |
| C6 | C43 | O44 | 122.6° | 120.0° |
| C6 | C43 | N45 | 115.2° | 120.0° |
| C9 | N8 | HN8 | 118.2° | 120.0° |
| N8 | C9 | C11 | 119.4° | 120.0° |
| N8 | C9 | O10 | 120.8° | 120.0° |
| C11 | C9 | O10 | 119.8° | 120.0° |
| C9 | C11 | C13 | 108.1° | 109.5° |
| C9 | C11 | N23 | 106.1° | 109.5° |
| C9 | C11 | H11 | 113.2° | 109.5° |
| C13 | C11 | N23 | 111.3° | 109.4° |
| C13 | C11 | H11 | 108.2° | 109.5° |
| C11 | C13 | C14 | 110.8° | 109.5° |
| C11 | C13 | H13 | 109.0° | 109.4° |
| C11 | C13 | H13A | 109.0° | 109.5° |
| N23 | C11 | H11 | 110.1° | 109.5° |
| C11 | N23 | C24 | 121.8° | 120.0° |
| C11 | N23 | HN23 | 119.1° | 120.0° |
| C14 | C13 | H13 | 109.0° | 109.5° |
| C14 | C13 | H13A | 109.0° | 109.5° |
| C13 | C14 | C15 | 116.2° | 119.9° |
| C13 | C14 | C22 | 120.4° | 119.9° |
| H13 | C13 | H13A | 109.9° | 109.5° |
| C15 | C14 | C22 | 123.4° | 120.1° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C14 | C22 | C20 | 111.7° | 120.1° |
| C14 | C22 | H22 | 124.2° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | BR17 | 118.9° | 120.0° |
| C15 | C16 | C18 | 122.5° | 119.9° |
| BR17 | C16 | C18 | 118.6° | 120.0° |
| C16 | C18 | O19 | 122.0° | 120.1° |
| C16 | C18 | C20 | 116.7° | 119.8° |
| O19 | C18 | C20 | 121.3° | 120.1° |
| C18 | O19 | HO19 | 109.5° | 114.0° |
| C18 | C20 | C22 | 126.3° | 119.9° |
| C18 | C20 | BR21 | 117.3° | 120.0° |
| C22 | C20 | BR21 | 116.3° | 120.0° |
| C20 | C22 | H22 | 124.1° | 119.9° |
| C24 | N23 | HN23 | 119.1° | 120.0° |
| N23 | C24 | O25 | 115.2° | 120.0° |
| N23 | C24 | N26 | 122.0° | 120.0° |
| O25 | C24 | N26 | 122.8° | 120.0° |
| C24 | N26 | C27 | 120.8° | 120.6° |
| C24 | N26 | C31 | 121.2° | 120.6° |
| C27 | N26 | C31 | 118.0° | 118.7° |
| N26 | C27 | C28 | 111.1° | 108.8° |
| N26 | C27 | H27 | 108.9° | 109.6° |
| N26 | C27 | H27A | 109.0° | 109.6° |
| N26 | C31 | C30 | 108.8° | 108.6° |
| N26 | C31 | H31 | 109.7° | 109.6° |
| N26 | C31 | H31A | 109.7° | 109.6° |
| C28 | C27 | H27 | 108.9° | 109.5° |
| C28 | C27 | H27A | 108.9° | 109.5° |
| C27 | C28 | C29 | 112.2° | 109.3° |
| C27 | C28 | H28 | 108.5° | 109.5° |
| C27 | C28 | H28A | 108.6° | 109.5° |
| H27 | C27 | H27A | 110.0° | 109.7° |
| C29 | C28 | H28 | 108.6° | 109.5° |
| C29 | C28 | H28A | 108.6° | 109.5° |
| C28 | C29 | C30 | 109.8° | 109.5° |
| C28 | C29 | N32 | 112.2° | 109.5° |
| C28 | C29 | H29 | 107.0° | 109.4° |
| H28 | C28 | H28A | 110.4° | 109.5° |
| C30 | C29 | N32 | 108.5° | 109.5° |
| C30 | C29 | H29 | 110.9° | 109.5° |
| C29 | C30 | C31 | 107.6° | 109.2° |
| C29 | C30 | H30 | 110.1° | 109.5° |
| C29 | C30 | H30A | 110.1° | 109.5° |
| N32 | C29 | H29 | 108.4° | 109.5° |
| C29 | N32 | C41 | 118.8° | 120.4° |
| C29 | N32 | C33 | 120.1° | 120.4° |
| C31 | C30 | H30 | 110.1° | 109.7° |
| C31 | C30 | H30A | 110.1° | 109.4° |
| C30 | C31 | H31 | 109.7° | 109.7° |
| C30 | C31 | H31A | 109.7° | 109.6° |
| H30 | C30 | H30A | 108.8° | 109.5° |
| H31 | C31 | H31A | 109.2° | 109.7° |
| C41 | N32 | C33 | 121.1° | 119.1° |
| N32 | C41 | N40 | 124.2° | 123.1° |
| N32 | C41 | O42 | 120.3° | 118.4° |
| N32 | C33 | C34 | 115.3° | 116.9° |
| N32 | C33 | H33 | 107.6° | 107.9° |
| N32 | C33 | H33A | 107.6° | 108.0° |
| C34 | C33 | H33 | 107.6° | 107.9° |
| C34 | C33 | H33A | 107.5° | 108.0° |
| C33 | C34 | C39 | 118.2° | 118.0° |
| C33 | C34 | C35 | 121.4° | 121.3° |
| H33 | C33 | H33A | 111.3° | 107.8° |
| C39 | C34 | C35 | 120.4° | 120.7° |
| C34 | C39 | C38 | 119.7° | 119.4° |
| C34 | C39 | N40 | 120.1° | 119.9° |
| C34 | C35 | C36 | 116.5° | 119.7° |
| C34 | C35 | H35 | 121.7° | 120.2° |
| C36 | C35 | H35 | 121.8° | 120.1° |
| C35 | C36 | C37 | 124.8° | 120.1° |
| C35 | C36 | H36 | 117.6° | 120.0° |
| C37 | C36 | H36 | 117.6° | 119.9° |
| C36 | C37 | C38 | 116.8° | 120.3° |
| C36 | C37 | H37 | 121.6° | 119.9° |
| C38 | C37 | H37 | 121.6° | 119.8° |
| C37 | C38 | C39 | 121.7° | 119.8° |
| C37 | C38 | H38 | 119.1° | 120.1° |
| C39 | C38 | H38 | 119.2° | 120.0° |
| C38 | C39 | N40 | 120.1° | 120.7° |
| C39 | N40 | C41 | 121.0° | 123.0° |
| C39 | N40 | HN40 | 119.5° | 118.5° |
| C41 | N40 | HN40 | 119.5° | 118.5° |
| N40 | C41 | O42 | 115.5° | 118.5° |
| O44 | C43 | N45 | 122.2° | 120.0° |
| C43 | N45 | C46 | 120.9° | 120.9° |
| C43 | N45 | C50 | 114.7° | 120.9° |
| C46 | N45 | C50 | 124.4° | 118.3° |
| N45 | C46 | C47 | 104.6° | 108.5° |
| N45 | C46 | H46 | 111.1° | 109.6° |
| N45 | C46 | H46A | 111.1° | 109.6° |
| N45 | C50 | C49 | 107.6° | 108.3° |
| N45 | C50 | H50 | 110.1° | 109.7° |
| N45 | C50 | H50A | 110.1° | 109.7° |
| C47 | C46 | H46 | 111.1° | 109.7° |
| C47 | C46 | H46A | 111.2° | 109.6° |
| C46 | C47 | N48 | 110.8° | 109.3° |
| C46 | C47 | H47 | 109.1° | 109.5° |
| C46 | C47 | H47A | 109.0° | 109.5° |
| H46 | C46 | H46A | 107.7° | 109.8° |
| N48 | C47 | H47 | 109.0° | 109.5° |
| N48 | C47 | H47A | 109.1° | 109.5° |
| C47 | N48 | C49 | 114.1° | 111.3° |
| C47 | N48 | C51 | 111.1° | 111.0° |
| H47 | C47 | H47A | 109.9° | 109.5° |
| C49 | N48 | C51 | 110.2° | 110.9° |
| N48 | C49 | C50 | 106.9° | 109.2° |
| N48 | C49 | H49 | 110.4° | 109.5° |
| N48 | C49 | H49A | 110.4° | 109.5° |
| N48 | C51 | C52 | 117.3° | 120.9° |
| N48 | C51 | C56 | 118.5° | 120.8° |
| C50 | C49 | H49 | 110.4° | 109.6° |
| C50 | C49 | H49A | 110.4° | 109.5° |
| C49 | C50 | H50 | 110.1° | 109.8° |
| C49 | C50 | H50A | 110.1° | 109.7° |
| H49 | C49 | H49A | 108.5° | 109.6° |
| H50 | C50 | H50A | 108.8° | 109.8° |
| C52 | C51 | C56 | 124.2° | 118.2° |
| C51 | C52 | C53 | 116.0° | 119.1° |
| C51 | C52 | H52 | 122.0° | 120.4° |
| C51 | C56 | C55 | 115.0° | 119.1° |
| C51 | C56 | H56 | 122.5° | 120.4° |
| C53 | C52 | H52 | 122.0° | 120.5° |
| C52 | C53 | N54 | 119.7° | 120.8° |
| C52 | C53 | H53 | 120.2° | 119.6° |
| N54 | C53 | H53 | 120.2° | 119.6° |
| C53 | N54 | C55 | 126.1° | 121.9° |
| N54 | C55 | C56 | 119.0° | 120.8° |
| N54 | C55 | H55 | 120.5° | 119.6° |
| C56 | C55 | H55 | 120.5° | 119.6° |
| C55 | C56 | H56 | 122.5° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| N1 | C2 | C3 | H2 | 120.0° | 120.0° |
| N1 | C2 | C3 | H2A | 120.0° | 120.0° |
| N1 | C2 | H2 | H2A | 119.3° | 120.0° |
| N1 | C2 | C3 | C4 | 128.0° | 180.0° |
| N1 | C2 | C3 | H3 | 8.0° | 60.0° |
| N1 | C2 | C3 | H3A | 112.0° | 60.0° |
| HN1 | N1 | C2 | C3 | 180.0° | 56.0° |
| HN1 | N1 | C2 | H2 | 60.0° | 176.0° |
| HN1 | N1 | C2 | H2A | 60.0° | 64.0° |
| HN1A | N1 | C2 | C3 | 60.0° | 180.0° |
| HN1A | N1 | C2 | H2 | 60.0° | 60.0° |
| HN1A | N1 | C2 | H2A | 180.0° | 60.0° |
| C3 | C2 | H2 | H2A | 119.3° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 120.9° | 119.9° |
| C2 | C3 | C4 | C5 | 143.2° | 180.0° |
| C2 | C3 | C4 | H4 | 23.2° | 60.0° |
| C2 | C3 | C4 | H4A | 96.8° | 60.0° |
| H2 | C2 | C3 | C4 | 112.0° | 60.0° |
| H2 | C2 | C3 | H3 | 128.1° | 180.0° |
| H2 | C2 | C3 | H3A | 8.0° | 60.0° |
| H2A | C2 | C3 | C4 | 8.0° | 60.0° |
| H2A | C2 | C3 | H3 | 112.0° | 60.1° |
| H2A | C2 | C3 | H3A | 128.0° | 180.0° |
| C4 | C3 | H3 | H3A | 120.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 161.2° | 180.0° |
| C3 | C4 | C5 | H5 | 78.8° | 59.9° |
| C3 | C4 | C5 | H5A | 41.3° | 60.0° |
| H3 | C3 | C4 | C5 | 96.8° | 59.9° |
| H3 | C3 | C4 | H4 | 143.2° | 180.0° |
| H3 | C3 | C4 | H4A | 23.2° | 60.0° |
| H3A | C3 | C4 | C5 | 23.2° | 60.1° |
| H3A | C3 | C4 | H4 | 96.8° | 60.0° |
| H3A | C3 | C4 | H4A | 143.2° | 180.0° |
| C5 | C4 | H4 | H4A | 119.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.1° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5A | 120.3° | 120.0° |
| C4 | C5 | C6 | N8 | 59.8° | 65.8° |
| C4 | C5 | C6 | C43 | 175.7° | 174.2° |
| C4 | C5 | C6 | H6 | 62.8° | 54.2° |
| H4 | C4 | C5 | C6 | 41.2° | 60.0° |
| H4 | C4 | C5 | H5 | 161.2° | 180.0° |
| H4 | C4 | C5 | H5A | 78.7° | 60.0° |
| H4A | C4 | C5 | C6 | 78.8° | 60.0° |
| H4A | C4 | C5 | H5 | 41.2° | 60.0° |
| H4A | C4 | C5 | H5A | 161.3° | 180.0° |
| C6 | C5 | H5 | H5A | 120.3° | 120.0° |
| C5 | C6 | N8 | C43 | 120.6° | 120.0° |
| C5 | C6 | N8 | H6 | 118.1° | 120.0° |
| C5 | C6 | C43 | H6 | 118.1° | 120.0° |
| C5 | C6 | N8 | C9 | 170.8° | 85.0° |
| C5 | C6 | N8 | HN8 | 9.2° | 95.0° |
| C5 | C6 | C43 | O44 | 90.0° | 95.1° |
| C5 | C6 | C43 | N45 | 90.8° | 84.9° |
| H5 | C5 | C6 | N8 | 179.8° | 174.1° |
| H5 | C5 | C6 | C43 | 64.3° | 54.1° |
| H5 | C5 | C6 | H6 | 57.2° | 65.9° |
| H5A | C5 | C6 | N8 | 60.1° | 54.1° |
| H5A | C5 | C6 | C43 | 55.7° | 65.8° |
| H5A | C5 | C6 | H6 | 177.2° | 174.2° |
| N8 | C6 | C43 | H6 | 122.5° | 119.9° |
| C6 | N8 | C9 | HN8 | 180.0° | 179.9° |
| C6 | N8 | C9 | C11 | 179.0° | 180.0° |
| C6 | N8 | C9 | O10 | 0.6° | 0.1° |
| N8 | C6 | C43 | O44 | 29.3° | 25.0° |
| N8 | C6 | C43 | N45 | 149.8° | 155.0° |
| C43 | C6 | N8 | C9 | 68.7° | 155.0° |
| C43 | C6 | N8 | HN8 | 111.4° | 25.0° |
| C6 | C43 | O44 | N45 | 179.1° | 180.0° |
| C6 | C43 | N45 | C46 | 1.1° | 175.2° |
| C6 | C43 | N45 | C50 | 178.8° | 4.5° |
| H6 | C6 | N8 | C9 | 52.7° | 35.1° |
| H6 | C6 | N8 | HN8 | 127.3° | 145.0° |
| H6 | C6 | C43 | O44 | 151.8° | 144.9° |
| H6 | C6 | C43 | N45 | 27.3° | 35.1° |
| N8 | C9 | C11 | O10 | 178.4° | 179.9° |
| N8 | C9 | C11 | C13 | 106.5° | 60.1° |
| N8 | C9 | C11 | N23 | 134.1° | 180.0° |
| N8 | C9 | C11 | H11 | 13.3° | 60.0° |
| HN8 | N8 | C9 | C11 | 1.0° | 0.1° |
| HN8 | N8 | C9 | O10 | 179.4° | 180.0° |
| C9 | C11 | C13 | N23 | 116.1° | 120.0° |
| C9 | C11 | C13 | H11 | 122.9° | 120.1° |
| C9 | C11 | N23 | H11 | 122.8° | 120.1° |
| C9 | C11 | C13 | C14 | 59.0° | 175.0° |
| C9 | C11 | C13 | H13 | 61.0° | 55.0° |
| C9 | C11 | C13 | H13A | 178.9° | 65.0° |
| C9 | C11 | N23 | C24 | 99.5° | 155.0° |
| C9 | C11 | N23 | HN23 | 80.5° | 24.9° |
| O10 | C9 | C11 | C13 | 71.9° | 120.0° |
| O10 | C9 | C11 | N23 | 47.5° | 0.1° |
| O10 | C9 | C11 | H11 | 168.3° | 120.0° |
| C13 | C11 | N23 | H11 | 119.9° | 120.0° |
| C11 | C13 | C14 | H13 | 120.0° | 119.9° |
| C11 | C13 | C14 | H13A | 120.0° | 120.0° |
| C11 | C13 | H13 | H13A | 119.5° | 120.0° |
| C11 | C13 | C14 | C15 | 86.2° | 89.7° |
| C11 | C13 | C14 | C22 | 92.0° | 89.9° |
| C13 | C11 | N23 | C24 | 143.2° | 85.0° |
| C13 | C11 | N23 | HN23 | 36.8° | 95.0° |
| N23 | C11 | C13 | C14 | 175.1° | 65.0° |
| N23 | C11 | C13 | H13 | 55.1° | 175.0° |
| N23 | C11 | C13 | H13A | 64.9° | 55.0° |
| C11 | N23 | C24 | HN23 | 180.0° | 179.9° |
| C11 | N23 | C24 | O25 | 3.0° | 4.2° |
| C11 | N23 | C24 | N26 | 177.3° | 175.8° |
| H11 | C11 | C13 | C14 | 63.9° | 54.9° |
| H11 | C11 | C13 | H13 | 176.1° | 65.0° |
| H11 | C11 | C13 | H13A | 56.1° | 175.0° |
| H11 | C11 | N23 | C24 | 23.3° | 35.0° |
| H11 | C11 | N23 | HN23 | 156.7° | 145.0° |
| C14 | C13 | H13 | H13A | 119.4° | 120.0° |
| C13 | C14 | C15 | C22 | 178.2° | 179.6° |
| C13 | C14 | C15 | C16 | 178.6° | 180.0° |
| C13 | C14 | C15 | H15 | 1.4° | 0.1° |
| C13 | C14 | C22 | C20 | 178.6° | 179.7° |
| C13 | C14 | C22 | H22 | 1.4° | 0.1° |
| H13 | C13 | C14 | C15 | 153.8° | 150.3° |
| H13 | C13 | C14 | C22 | 27.9° | 30.0° |
| H13A | C13 | C14 | C15 | 33.8° | 30.3° |
| H13A | C13 | C14 | C22 | 147.9° | 150.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | BR17 | 179.1° | 180.0° |
| C14 | C15 | C16 | C18 | 0.5° | 0.1° |
| C15 | C14 | C22 | C20 | 0.5° | 0.6° |
| C15 | C14 | C22 | H22 | 179.5° | 179.7° |
| C22 | C14 | C15 | C16 | 0.4° | 0.4° |
| C22 | C14 | C15 | H15 | 179.6° | 179.7° |
| C14 | C22 | C20 | C18 | 0.3° | 0.6° |
| C14 | C22 | C20 | H22 | 180.0° | 179.7° |
| C14 | C22 | C20 | BR21 | 179.2° | 179.7° |
| C15 | C16 | BR17 | C18 | 178.6° | 179.9° |
| C15 | C16 | C18 | O19 | 179.5° | 179.9° |
| C15 | C16 | C18 | C20 | 1.2° | 0.0° |
| H15 | C15 | C16 | BR17 | 0.9° | 0.1° |
| H15 | C15 | C16 | C18 | 179.5° | 180.0° |
| BR17 | C16 | C18 | O19 | 1.0° | 0.0° |
| BR17 | C16 | C18 | C20 | 179.8° | 180.0° |
| C16 | C18 | O19 | C20 | 179.2° | 180.0° |
| C16 | C18 | O19 | HO19 | 180.0° | 90.1° |
| C16 | C18 | C20 | C22 | 1.1° | 0.3° |
| C16 | C18 | C20 | BR21 | 180.0° | 180.0° |
| O19 | C18 | C20 | C22 | 179.6° | 179.7° |
| O19 | C18 | C20 | BR21 | 0.7° | 0.1° |
| C20 | C18 | O19 | HO19 | 0.8° | 89.9° |
| C18 | C20 | C22 | BR21 | 178.9° | 179.8° |
| C18 | C20 | C22 | H22 | 179.7° | 179.8° |
| BR21 | C20 | C22 | H22 | 0.8° | 0.0° |
| N23 | C24 | O25 | N26 | 179.7° | 180.0° |
| N23 | C24 | N26 | C27 | 180.0° | 175.0° |
| N23 | C24 | N26 | C31 | 0.5° | 5.3° |
| HN23 | N23 | C24 | O25 | 177.0° | 175.9° |
| HN23 | N23 | C24 | N26 | 2.7° | 4.1° |
| O25 | C24 | N26 | C27 | 0.3° | 5.0° |
| O25 | C24 | N26 | C31 | 179.2° | 174.7° |
| C24 | N26 | C27 | C31 | 179.6° | 179.7° |
| C24 | N26 | C27 | C28 | 128.8° | 126.4° |
| C24 | N26 | C27 | H27 | 8.8° | 6.7° |
| C24 | N26 | C27 | H27A | 111.2° | 113.8° |
| C24 | N26 | C31 | C30 | 124.0° | 126.4° |
| C24 | N26 | C31 | H31 | 116.0° | 113.8° |
| C24 | N26 | C31 | H31A | 4.0° | 6.7° |
| N26 | C27 | C28 | H27 | 120.0° | 119.8° |
| N26 | C27 | C28 | H27A | 120.0° | 119.8° |
| N26 | C27 | H27 | H27A | 119.4° | 120.4° |
| N26 | C27 | C28 | C29 | 49.9° | 54.6° |
| N26 | C27 | C28 | H28 | 70.1° | 65.3° |
| N26 | C27 | C28 | H28A | 169.9° | 174.6° |
| C27 | N26 | C31 | C30 | 55.6° | 53.9° |
| C27 | N26 | C31 | H31 | 64.4° | 65.9° |
| C27 | N26 | C31 | H31A | 175.6° | 173.6° |
| C31 | N26 | C27 | C28 | 50.8° | 53.9° |
| C31 | N26 | C27 | H27 | 170.8° | 173.6° |
| C31 | N26 | C27 | H27A | 69.2° | 65.9° |
| N26 | C31 | C30 | C29 | 57.3° | 54.9° |
| N26 | C31 | C30 | H31 | 120.0° | 119.8° |
| N26 | C31 | C30 | H31A | 120.0° | 119.7° |
| N26 | C31 | C30 | H30 | 62.7° | 65.1° |
| N26 | C31 | C30 | H30A | 177.3° | 174.7° |
| N26 | C31 | H31 | H31A | 120.3° | 120.4° |
| C28 | C27 | H27 | H27A | 119.3° | 120.3° |
| C27 | C28 | C29 | H28 | 120.0° | 119.9° |
| C27 | C28 | C29 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28A | 118.8° | 120.1° |
| C27 | C28 | C29 | C30 | 56.8° | 61.3° |
| C27 | C28 | C29 | N32 | 177.5° | 178.6° |
| C27 | C28 | C29 | H29 | 63.7° | 58.7° |
| H27 | C27 | C28 | C29 | 169.9° | 174.4° |
| H27 | C27 | C28 | H28 | 49.9° | 54.5° |
| H27 | C27 | C28 | H28A | 70.1° | 65.6° |
| H27A | C27 | C28 | C29 | 70.1° | 65.2° |
| H27A | C27 | C28 | H28 | 169.9° | 174.9° |
| H27A | C27 | C28 | H28A | 49.9° | 54.8° |
| C29 | C28 | H28 | H28A | 118.9° | 120.1° |
| C28 | C29 | C30 | N32 | 123.0° | 120.0° |
| C28 | C29 | C30 | H29 | 118.1° | 120.0° |
| C28 | C29 | N32 | H29 | 118.0° | 119.9° |
| C28 | C29 | C30 | C31 | 60.2° | 61.5° |
| C28 | C29 | C30 | H30 | 59.8° | 58.6° |
| C28 | C29 | C30 | H30A | 179.8° | 178.7° |
| C28 | C29 | N32 | C41 | 99.7° | 60.0° |
| C28 | C29 | N32 | C33 | 79.3° | 120.3° |
| H28 | C28 | C29 | C30 | 63.2° | 58.6° |
| H28 | C28 | C29 | N32 | 57.5° | 61.4° |
| H28 | C28 | C29 | H29 | 176.3° | 178.6° |
| H28A | C28 | C29 | C30 | 176.8° | 178.7° |
| H28A | C28 | C29 | N32 | 62.5° | 58.7° |
| H28A | C28 | C29 | H29 | 56.3° | 61.3° |
| C30 | C29 | N32 | H29 | 120.5° | 120.0° |
| C29 | C30 | C31 | H30 | 120.0° | 120.0° |
| C29 | C30 | C31 | H30A | 120.0° | 119.8° |
| C29 | C30 | H30 | H30A | 120.8° | 120.1° |
| C29 | C30 | C31 | H31 | 62.7° | 64.9° |
| C29 | C30 | C31 | H31A | 177.3° | 174.6° |
| C30 | C29 | N32 | C41 | 138.9° | 60.0° |
| C30 | C29 | N32 | C33 | 42.1° | 119.7° |
| N32 | C29 | C30 | C31 | 176.9° | 178.5° |
| N32 | C29 | C30 | H30 | 63.2° | 61.4° |
| N32 | C29 | C30 | H30A | 56.8° | 58.7° |
| C29 | N32 | C41 | C33 | 179.0° | 179.7° |
| C29 | N32 | C33 | C34 | 179.8° | 180.0° |
| C29 | N32 | C33 | H33 | 59.8° | 58.2° |
| C29 | N32 | C33 | H33A | 60.2° | 58.1° |
| C29 | N32 | C41 | N40 | 179.7° | 179.7° |
| C29 | N32 | C41 | O42 | 0.6° | 0.0° |
| H29 | C29 | C30 | C31 | 57.9° | 58.5° |
| H29 | C29 | C30 | H30 | 177.9° | 178.6° |
| H29 | C29 | C30 | H30A | 62.1° | 61.3° |
| H29 | C29 | N32 | C41 | 18.3° | 180.0° |
| H29 | C29 | N32 | C33 | 162.7° | 0.4° |
| C31 | C30 | H30 | H30A | 120.8° | 120.1° |
| C30 | C31 | H31 | H31A | 120.3° | 120.5° |
| H30 | C30 | C31 | H31 | 177.3° | 175.1° |
| H30 | C30 | C31 | H31A | 57.3° | 54.6° |
| H30A | C30 | C31 | H31 | 57.3° | 54.9° |
| H30A | C30 | C31 | H31A | 62.7° | 65.6° |
| C41 | N32 | C33 | C34 | 1.2° | 0.3° |
| C41 | N32 | C33 | H33 | 121.2° | 122.2° |
| C41 | N32 | C33 | H33A | 118.8° | 121.6° |
| N32 | C41 | N40 | C39 | 0.1° | 0.6° |
| N32 | C41 | N40 | O42 | 179.7° | 179.7° |
| N32 | C41 | N40 | HN40 | 179.9° | 179.7° |
| N32 | C33 | C34 | H33 | 120.0° | 121.9° |
| N32 | C33 | C34 | H33A | 120.0° | 121.9° |
| N32 | C33 | H33 | H33A | 117.6° | 116.4° |
| N32 | C33 | C34 | C39 | 0.9° | 0.0° |
| N32 | C33 | C34 | C35 | 178.7° | 180.0° |
| C33 | N32 | C41 | N40 | 0.7° | 0.6° |
| C33 | N32 | C41 | O42 | 179.6° | 179.7° |
| C34 | C33 | H33 | H33A | 117.6° | 116.4° |
| C33 | C34 | C39 | C35 | 179.6° | 180.0° |
| C33 | C34 | C35 | C36 | 179.9° | 180.0° |
| C33 | C34 | C35 | H35 | 0.0° | 0.1° |
| C33 | C34 | C39 | C38 | 179.9° | 180.0° |
| C33 | C34 | C39 | N40 | 0.1° | 0.0° |
| H33 | C33 | C34 | C39 | 120.9° | 121.9° |
| H33 | C33 | C34 | C35 | 58.7° | 58.2° |
| H33A | C33 | C34 | C39 | 119.1° | 121.9° |
| H33A | C33 | C34 | C35 | 61.3° | 58.1° |
| C39 | C34 | C35 | C36 | 0.4° | 0.0° |
| C39 | C34 | C35 | H35 | 179.6° | 179.9° |
| C34 | C39 | C38 | C37 | 0.0° | 0.0° |
| C34 | C39 | C38 | N40 | 179.8° | 180.0° |
| C34 | C39 | C38 | H38 | 180.0° | 180.0° |
| C34 | C39 | N40 | C41 | 0.4° | 0.3° |
| C34 | C39 | N40 | HN40 | 179.6° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| C35 | C34 | C39 | C38 | 0.3° | 0.0° |
| C35 | C34 | C39 | N40 | 179.4° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.0° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| H35 | C35 | C36 | C37 | 179.9° | 179.9° |
| H35 | C35 | C36 | H36 | 0.2° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C36 | C37 | C38 | H38 | 179.7° | 180.0° |
| H36 | C36 | C37 | C38 | 179.8° | 180.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | N40 | 179.8° | 180.0° |
| H37 | C37 | C38 | C39 | 179.7° | 180.0° |
| H37 | C37 | C38 | H38 | 0.3° | 0.1° |
| C38 | C39 | N40 | C41 | 179.4° | 179.7° |
| C38 | C39 | N40 | HN40 | 0.6° | 0.0° |
| H38 | C38 | C39 | N40 | 0.2° | 0.0° |
| C39 | N40 | C41 | HN40 | 180.0° | 179.7° |
| C39 | N40 | C41 | O42 | 179.6° | 179.7° |
| HN40 | N40 | C41 | O42 | 0.4° | 0.0° |
| O44 | C43 | N45 | C46 | 179.8° | 4.8° |
| O44 | C43 | N45 | C50 | 0.3° | 175.5° |
| C43 | N45 | C46 | C50 | 179.9° | 179.8° |
| C43 | N45 | C46 | C47 | 136.0° | 128.8° |
| C43 | N45 | C46 | H46 | 16.0° | 9.1° |
| C43 | N45 | C46 | H46A | 104.0° | 111.5° |
| C43 | N45 | C50 | C49 | 131.5° | 128.7° |
| C43 | N45 | C50 | H50 | 108.5° | 111.5° |
| C43 | N45 | C50 | H50A | 11.5° | 9.1° |
| N45 | C46 | C47 | H46 | 120.0° | 119.7° |
| N45 | C46 | C47 | H46A | 120.0° | 119.7° |
| N45 | C46 | H46 | H46A | 122.0° | 120.4° |
| N45 | C46 | C47 | N48 | 46.9° | 53.8° |
| N45 | C46 | C47 | H47 | 73.1° | 66.1° |
| N45 | C46 | C47 | H47A | 166.9° | 173.8° |
| C46 | N45 | C50 | C49 | 48.4° | 51.5° |
| C46 | N45 | C50 | H50 | 71.6° | 68.2° |
| C46 | N45 | C50 | H50A | 168.4° | 171.1° |
| C50 | N45 | C46 | C47 | 43.9° | 51.4° |
| C50 | N45 | C46 | H46 | 164.0° | 171.2° |
| C50 | N45 | C46 | H46A | 76.1° | 68.3° |
| N45 | C50 | C49 | N48 | 52.5° | 54.1° |
| N45 | C50 | C49 | H50 | 120.0° | 119.7° |
| N45 | C50 | C49 | H50A | 120.0° | 119.7° |
| N45 | C50 | C49 | H49 | 67.6° | 65.9° |
| N45 | C50 | C49 | H49A | 172.5° | 173.9° |
| N45 | C50 | H50 | H50A | 120.7° | 120.6° |
| C47 | C46 | H46 | H46A | 122.0° | 120.5° |
| C46 | C47 | N48 | H47 | 120.0° | 119.9° |
| C46 | C47 | N48 | H47A | 120.0° | 120.0° |
| C46 | C47 | H47 | H47A | 119.5° | 120.1° |
| C46 | C47 | N48 | C49 | 65.5° | 63.1° |
| C46 | C47 | N48 | C51 | 169.1° | 172.8° |
| H46 | C46 | C47 | N48 | 166.9° | 173.5° |
| H46 | C46 | C47 | H47 | 46.9° | 53.6° |
| H46 | C46 | C47 | H47A | 73.1° | 66.5° |
| H46A | C46 | C47 | N48 | 73.1° | 65.9° |
| H46A | C46 | C47 | H47 | 166.9° | 174.2° |
| H46A | C46 | C47 | H47A | 46.9° | 54.1° |
| N48 | C47 | H47 | H47A | 119.5° | 120.1° |
| C47 | N48 | C49 | C51 | 125.8° | 124.2° |
| C47 | N48 | C49 | C50 | 67.2° | 63.2° |
| C47 | N48 | C49 | H49 | 52.9° | 56.8° |
| C47 | N48 | C49 | H49A | 172.8° | 176.9° |
| C47 | N48 | C51 | C52 | 124.9° | 180.0° |
| C47 | N48 | C51 | C56 | 53.9° | 0.2° |
| H47 | C47 | N48 | C49 | 54.5° | 56.8° |
| H47 | C47 | N48 | C51 | 70.9° | 67.3° |
| H47A | C47 | N48 | C49 | 174.5° | 176.9° |
| H47A | C47 | N48 | C51 | 49.1° | 52.8° |
| N48 | C49 | C50 | H49 | 120.0° | 119.9° |
| N48 | C49 | C50 | H49A | 120.0° | 119.9° |
| N48 | C49 | H49 | H49A | 121.1° | 120.1° |
| N48 | C49 | C50 | H50 | 67.5° | 65.6° |
| N48 | C49 | C50 | H50A | 172.5° | 173.7° |
| C49 | N48 | C51 | C52 | 2.5° | 55.7° |
| C49 | N48 | C51 | C56 | 178.6° | 124.1° |
| C51 | N48 | C49 | C50 | 167.1° | 172.6° |
| C51 | N48 | C49 | H49 | 72.9° | 67.3° |
| C51 | N48 | C49 | H49A | 47.0° | 52.8° |
| N48 | C51 | C52 | C56 | 178.8° | 179.8° |
| N48 | C51 | C52 | C53 | 179.2° | 179.9° |
| N48 | C51 | C52 | H52 | 0.9° | 0.0° |
| N48 | C51 | C56 | C55 | 179.3° | 179.7° |
| N48 | C51 | C56 | H56 | 0.7° | 0.1° |
| C50 | C49 | H49 | H49A | 121.1° | 120.2° |
| C49 | C50 | H50 | H50A | 120.8° | 120.6° |
| H49 | C49 | C50 | H50 | 172.4° | 174.4° |
| H49 | C49 | C50 | H50A | 52.5° | 53.8° |
| H49A | C49 | C50 | H50 | 52.5° | 54.2° |
| H49A | C49 | C50 | H50A | 67.5° | 66.4° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | N54 | 0.3° | 0.1° |
| C51 | C52 | C53 | H53 | 179.7° | 180.0° |
| C52 | C51 | C56 | C55 | 0.6° | 0.5° |
| C52 | C51 | C56 | H56 | 179.4° | 179.7° |
| C56 | C51 | C52 | C53 | 0.4° | 0.2° |
| C56 | C51 | C52 | H52 | 179.6° | 179.8° |
| C51 | C56 | C55 | N54 | 0.6° | 0.5° |
| C51 | C56 | C55 | H56 | 180.0° | 179.8° |
| C51 | C56 | C55 | H55 | 179.4° | 179.8° |
| C52 | C53 | N54 | H53 | 180.0° | 180.0° |
| C52 | C53 | N54 | C55 | 0.4° | 0.1° |
| H52 | C52 | C53 | N54 | 179.8° | 180.0° |
| H52 | C52 | C53 | H53 | 0.2° | 0.0° |
| C53 | N54 | C55 | C56 | 0.6° | 0.3° |
| C53 | N54 | C55 | H55 | 179.4° | 180.0° |
| H53 | C53 | N54 | C55 | 179.6° | 179.9° |
| N54 | C55 | C56 | H55 | 180.0° | 179.7° |
| N54 | C55 | C56 | H56 | 179.4° | 179.6° |
| H55 | C55 | C56 | H56 | 0.6° | 0.0° |
