A4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OD1 | CD1 | doub | 1.22Å | 1.23Å | |
| CD1 | ND1 | sing | 1.35Å | 1.34Å | |
| CD1 | C4 | sing | 1.47Å | 1.53Å | |
| ND1 | CD2 | sing | 1.46Å | 1.47Å | |
| ND1 | HND1 | sing | 0.97Å | 1.00Å | |
| CD2 | CD3 | sing | 1.53Å | 1.54Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD3 | ND2 | sing | 1.47Å | 1.47Å | |
| CD3 | HD31 | sing | 1.09Å | 1.10Å | |
| CD3 | HD32 | sing | 1.09Å | 1.10Å | |
| ND2 | CD8 | sing | 1.47Å | 1.47Å | |
| ND2 | CD7 | sing | 1.47Å | 1.46Å | |
| CD8 | HD81 | sing | 1.09Å | 1.10Å | |
| CD8 | HD82 | sing | 1.09Å | 1.10Å | |
| CD8 | HD83 | sing | 1.09Å | 1.10Å | |
| CD7 | HD71 | sing | 1.09Å | 1.10Å | |
| CD7 | HD72 | sing | 1.09Å | 1.10Å | |
| CD7 | HD73 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.42Å | 1.39Å | Aromatic |
| C12 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N10 | C14 | sing | 1.33Å | 1.33Å | Aromatic |
| C14 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | N9 | sing | 1.38Å | 1.32Å | |
| N9 | CX1 | sing | 1.47Å | 1.48Å | |
| N9 | HN9 | sing | 1.01Å | 1.00Å | |
| CX1 | CX2 | sing | 1.53Å | 1.53Å | |
| CX1 | HX11 | sing | 1.09Å | 1.10Å | |
| CX1 | HX12 | sing | 1.09Å | 1.10Å | |
| CX2 | CX3 | sing | 1.53Å | 1.53Å | |
| CX2 | HX21 | sing | 1.09Å | 1.10Å | |
| CX2 | HX22 | sing | 1.09Å | 1.10Å | |
| CX3 | CX6 | sing | 1.53Å | 1.53Å | |
| CX3 | HX31 | sing | 1.09Å | 1.10Å | |
| CX3 | HX32 | sing | 1.09Å | 1.10Å | |
| OD2 | CD4 | doub | 1.22Å | 1.23Å | |
| CD4 | ND3 | sing | 1.35Å | 1.34Å | |
| CD4 | C25 | sing | 1.47Å | 1.53Å | |
| ND3 | CD5 | sing | 1.47Å | 1.47Å | |
| ND3 | HND3 | sing | 0.97Å | 1.00Å | |
| CD5 | CD6 | sing | 1.53Å | 1.54Å | |
| CD5 | HD51 | sing | 1.09Å | 1.10Å | |
| CD5 | HD52 | sing | 1.09Å | 1.10Å | |
| CD6 | ND4 | sing | 1.47Å | 1.47Å | |
| CD6 | HD61 | sing | 1.09Å | 1.10Å | |
| CD6 | HD62 | sing | 1.09Å | 1.10Å | |
| ND4 | CD0 | sing | 1.47Å | 1.47Å | |
| ND4 | CD9 | sing | 1.47Å | 1.46Å | |
| CD0 | HD01 | sing | 1.09Å | 1.10Å | |
| CD0 | HD02 | sing | 1.09Å | 1.10Å | |
| CD0 | HD03 | sing | 1.09Å | 1.10Å | |
| CD9 | HD91 | sing | 1.09Å | 1.10Å | |
| CD9 | HD92 | sing | 1.09Å | 1.10Å | |
| CD9 | HD93 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C27 | doub | 1.47Å | 1.39Å | Aromatic |
| C26 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | sing | 1.36Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | C16 | sing | 1.42Å | 1.39Å | Aromatic |
| C27 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N12 | C18 | doub | 1.33Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C22 | sing | 1.42Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | C24 | doub | 1.41Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | N11 | sing | 1.38Å | 1.32Å | |
| N11 | CX4 | sing | 1.47Å | 1.48Å | |
| N11 | HN11 | sing | 1.01Å | 1.00Å | |
| CX4 | CX5 | sing | 1.53Å | 1.53Å | |
| CX4 | HX41 | sing | 1.09Å | 1.10Å | |
| CX4 | HX42 | sing | 1.09Å | 1.10Å | |
| CX5 | CX6 | sing | 1.53Å | 1.53Å | |
| CX5 | HX51 | sing | 1.09Å | 1.10Å | |
| CX5 | HX52 | sing | 1.09Å | 1.10Å | |
| CX6 | HX61 | sing | 1.09Å | 1.10Å | |
| CX6 | HX62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OD1 | CD1 | ND1 | 121.8° | 120.0° |
| OD1 | CD1 | C4 | 118.5° | 120.0° |
| ND1 | CD1 | C4 | 116.4° | 120.0° |
| CD1 | ND1 | CD2 | 123.8° | 120.0° |
| CD1 | ND1 | HND1 | 118.1° | 120.0° |
| CD1 | C4 | C3 | 119.8° | 120.6° |
| CD1 | C4 | C12 | 120.5° | 120.6° |
| CD2 | ND1 | HND1 | 118.1° | 120.0° |
| ND1 | CD2 | CD3 | 109.8° | 109.5° |
| ND1 | CD2 | HD21 | 109.3° | 109.5° |
| ND1 | CD2 | HD22 | 109.4° | 109.5° |
| CD3 | CD2 | HD21 | 109.3° | 109.5° |
| CD3 | CD2 | HD22 | 109.4° | 109.5° |
| CD2 | CD3 | ND2 | 107.3° | 109.5° |
| CD2 | CD3 | HD31 | 110.7° | 109.5° |
| CD2 | CD3 | HD32 | 110.2° | 109.5° |
| HD21 | CD2 | HD22 | 109.7° | 109.4° |
| ND2 | CD3 | HD31 | 110.7° | 109.5° |
| ND2 | CD3 | HD32 | 110.2° | 109.4° |
| CD3 | ND2 | CD8 | 109.7° | 106.7° |
| CD3 | ND2 | CD7 | 111.2° | 106.7° |
| HD31 | CD3 | HD32 | 107.8° | 109.4° |
| CD8 | ND2 | CD7 | 112.8° | 106.7° |
| ND2 | CD8 | HD81 | 109.5° | 109.5° |
| ND2 | CD8 | HD82 | 109.5° | 109.5° |
| ND2 | CD8 | HD83 | 109.5° | 109.5° |
| ND2 | CD7 | HD71 | 109.5° | 109.5° |
| ND2 | CD7 | HD72 | 109.4° | 109.4° |
| ND2 | CD7 | HD73 | 109.5° | 109.4° |
| HD81 | CD8 | HD82 | 109.5° | 109.4° |
| HD81 | CD8 | HD83 | 109.5° | 109.5° |
| HD82 | CD8 | HD83 | 109.4° | 109.4° |
| HD71 | CD7 | HD72 | 109.5° | 109.5° |
| HD71 | CD7 | HD73 | 109.4° | 109.5° |
| HD72 | CD7 | HD73 | 109.5° | 109.5° |
| C3 | C4 | C12 | 119.7° | 118.7° |
| C4 | C3 | C2 | 121.6° | 120.7° |
| C4 | C3 | H3 | 119.2° | 119.6° |
| C4 | C12 | C11 | 119.5° | 118.4° |
| C4 | C12 | N10 | 121.0° | 120.6° |
| C2 | C3 | H3 | 119.2° | 119.6° |
| C3 | C2 | C1 | 118.3° | 121.7° |
| C3 | C2 | H2 | 120.8° | 119.2° |
| C1 | C2 | H2 | 120.9° | 119.1° |
| C2 | C1 | C11 | 120.2° | 120.7° |
| C2 | C1 | H1 | 119.9° | 119.7° |
| C11 | C12 | N10 | 119.4° | 121.0° |
| C12 | C11 | C1 | 120.6° | 119.7° |
| C12 | C11 | C9 | 119.8° | 119.3° |
| C12 | N10 | C14 | 122.1° | 121.9° |
| C1 | C11 | C9 | 119.6° | 121.0° |
| C11 | C1 | H1 | 119.9° | 119.6° |
| C11 | C9 | C13 | 119.1° | 117.7° |
| C11 | C9 | N9 | 117.7° | 121.2° |
| N10 | C14 | C5 | 119.7° | 120.4° |
| N10 | C14 | C13 | 121.2° | 120.7° |
| C5 | C14 | C13 | 119.1° | 118.9° |
| C14 | C5 | C6 | 120.1° | 119.9° |
| C14 | C5 | H5 | 120.0° | 120.1° |
| C14 | C13 | C8 | 120.0° | 119.6° |
| C14 | C13 | C9 | 118.4° | 119.4° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 121.5° | 121.1° |
| C5 | C6 | H6 | 119.3° | 119.5° |
| C7 | C6 | H6 | 119.2° | 119.4° |
| C6 | C7 | C8 | 117.3° | 120.8° |
| C6 | C7 | H7 | 121.4° | 119.5° |
| C8 | C7 | H7 | 121.4° | 119.6° |
| C7 | C8 | C13 | 122.0° | 119.7° |
| C7 | C8 | H8 | 119.0° | 120.1° |
| C8 | C13 | C9 | 121.6° | 120.9° |
| C13 | C8 | H8 | 119.0° | 120.2° |
| C13 | C9 | N9 | 123.2° | 121.1° |
| C9 | N9 | CX1 | 122.8° | 106.7° |
| C9 | N9 | HN9 | 105.2° | 106.7° |
| CX1 | N9 | HN9 | 105.3° | 106.7° |
| N9 | CX1 | CX2 | 108.2° | 109.5° |
| N9 | CX1 | HX11 | 110.2° | 109.5° |
| N9 | CX1 | HX12 | 109.9° | 109.5° |
| CX2 | CX1 | HX11 | 110.2° | 109.4° |
| CX2 | CX1 | HX12 | 109.9° | 109.4° |
| CX1 | CX2 | CX3 | 114.0° | 109.5° |
| CX1 | CX2 | HX21 | 107.0° | 109.4° |
| CX1 | CX2 | HX22 | 108.0° | 109.5° |
| HX11 | CX1 | HX12 | 108.4° | 109.5° |
| CX3 | CX2 | HX21 | 107.0° | 109.5° |
| CX3 | CX2 | HX22 | 108.0° | 109.5° |
| CX2 | CX3 | CX6 | 107.6° | 109.5° |
| CX2 | CX3 | HX31 | 110.5° | 109.5° |
| CX2 | CX3 | HX32 | 110.1° | 109.5° |
| HX21 | CX2 | HX22 | 113.0° | 109.5° |
| CX6 | CX3 | HX31 | 110.5° | 109.5° |
| CX6 | CX3 | HX32 | 110.1° | 109.5° |
| CX3 | CX6 | CX5 | 107.6° | 109.5° |
| CX3 | CX6 | HX61 | 110.5° | 109.4° |
| CX3 | CX6 | HX62 | 110.1° | 109.5° |
| HX31 | CX3 | HX32 | 108.0° | 109.4° |
| OD2 | CD4 | ND3 | 121.8° | 120.0° |
| OD2 | CD4 | C25 | 118.5° | 120.0° |
| ND3 | CD4 | C25 | 116.4° | 120.0° |
| CD4 | ND3 | CD5 | 123.8° | 120.0° |
| CD4 | ND3 | HND3 | 118.1° | 120.0° |
| CD4 | C25 | C26 | 119.8° | 120.6° |
| CD4 | C25 | C27 | 120.5° | 120.6° |
| CD5 | ND3 | HND3 | 118.1° | 120.0° |
| ND3 | CD5 | CD6 | 109.8° | 109.5° |
| ND3 | CD5 | HD51 | 109.3° | 109.4° |
| ND3 | CD5 | HD52 | 109.4° | 109.5° |
| CD6 | CD5 | HD51 | 109.3° | 109.4° |
| CD6 | CD5 | HD52 | 109.4° | 109.5° |
| CD5 | CD6 | ND4 | 107.3° | 109.5° |
| CD5 | CD6 | HD61 | 110.7° | 109.5° |
| CD5 | CD6 | HD62 | 110.2° | 109.5° |
| HD51 | CD5 | HD52 | 109.7° | 109.5° |
| ND4 | CD6 | HD61 | 110.7° | 109.4° |
| ND4 | CD6 | HD62 | 110.2° | 109.5° |
| CD6 | ND4 | CD0 | 109.7° | 106.7° |
| CD6 | ND4 | CD9 | 111.2° | 106.7° |
| HD61 | CD6 | HD62 | 107.8° | 109.4° |
| CD0 | ND4 | CD9 | 112.8° | 106.7° |
| ND4 | CD0 | HD01 | 109.5° | 109.5° |
| ND4 | CD0 | HD02 | 109.5° | 109.5° |
| ND4 | CD0 | HD03 | 109.5° | 109.5° |
| ND4 | CD9 | HD91 | 109.5° | 109.5° |
| ND4 | CD9 | HD92 | 109.5° | 109.5° |
| ND4 | CD9 | HD93 | 109.5° | 109.5° |
| HD01 | CD0 | HD02 | 109.5° | 109.5° |
| HD01 | CD0 | HD03 | 109.4° | 109.5° |
| HD02 | CD0 | HD03 | 109.4° | 109.4° |
| HD91 | CD9 | HD92 | 109.5° | 109.5° |
| HD91 | CD9 | HD93 | 109.4° | 109.5° |
| HD92 | CD9 | HD93 | 109.4° | 109.5° |
| C26 | C25 | C27 | 119.7° | 118.8° |
| C25 | C26 | C15 | 121.6° | 120.7° |
| C25 | C26 | H26 | 119.2° | 119.7° |
| C25 | C27 | C16 | 119.5° | 118.3° |
| C25 | C27 | N12 | 121.0° | 120.7° |
| C15 | C26 | H26 | 119.2° | 119.6° |
| C26 | C15 | C17 | 118.3° | 121.7° |
| C26 | C15 | H15 | 120.8° | 119.2° |
| C17 | C15 | H15 | 120.9° | 119.1° |
| C15 | C17 | C16 | 120.2° | 120.7° |
| C15 | C17 | H17 | 119.9° | 119.6° |
| C16 | C27 | N12 | 119.4° | 121.0° |
| C27 | C16 | C17 | 120.6° | 119.8° |
| C27 | C16 | C24 | 119.8° | 119.3° |
| C27 | N12 | C18 | 122.1° | 121.9° |
| C17 | C16 | C24 | 119.6° | 120.9° |
| C16 | C17 | H17 | 119.9° | 119.7° |
| C16 | C24 | C22 | 119.1° | 117.7° |
| C16 | C24 | N11 | 117.7° | 121.2° |
| N12 | C18 | C19 | 119.7° | 120.4° |
| N12 | C18 | C22 | 121.2° | 120.7° |
| C19 | C18 | C22 | 119.1° | 118.9° |
| C18 | C19 | C20 | 120.1° | 119.8° |
| C18 | C19 | H19 | 120.0° | 120.1° |
| C18 | C22 | C23 | 120.0° | 119.6° |
| C18 | C22 | C24 | 118.4° | 119.4° |
| C20 | C19 | H19 | 120.0° | 120.1° |
| C19 | C20 | C21 | 121.5° | 121.1° |
| C19 | C20 | H20 | 119.3° | 119.5° |
| C21 | C20 | H20 | 119.2° | 119.4° |
| C20 | C21 | C23 | 117.3° | 120.8° |
| C20 | C21 | H21 | 121.4° | 119.6° |
| C23 | C21 | H21 | 121.4° | 119.6° |
| C21 | C23 | C22 | 122.0° | 119.7° |
| C21 | C23 | H23 | 119.0° | 120.2° |
| C23 | C22 | C24 | 121.6° | 121.0° |
| C22 | C23 | H23 | 119.0° | 120.1° |
| C22 | C24 | N11 | 123.2° | 121.1° |
| C24 | N11 | CX4 | 122.8° | 106.7° |
| C24 | N11 | HN11 | 105.2° | 106.7° |
| CX4 | N11 | HN11 | 105.3° | 106.7° |
| N11 | CX4 | CX5 | 108.2° | 109.5° |
| N11 | CX4 | HX41 | 110.2° | 109.5° |
| N11 | CX4 | HX42 | 109.9° | 109.4° |
| CX5 | CX4 | HX41 | 110.2° | 109.5° |
| CX5 | CX4 | HX42 | 109.9° | 109.5° |
| CX4 | CX5 | CX6 | 114.0° | 109.5° |
| CX4 | CX5 | HX51 | 107.0° | 109.4° |
| CX4 | CX5 | HX52 | 108.0° | 109.5° |
| HX41 | CX4 | HX42 | 108.4° | 109.4° |
| CX6 | CX5 | HX51 | 107.0° | 109.5° |
| CX6 | CX5 | HX52 | 108.0° | 109.5° |
| CX5 | CX6 | HX61 | 110.6° | 109.5° |
| CX5 | CX6 | HX62 | 110.1° | 109.5° |
| HX51 | CX5 | HX52 | 113.0° | 109.5° |
| HX61 | CX6 | HX62 | 108.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OD1 | CD1 | ND1 | C4 | 159.4° | 180.0° |
| OD1 | CD1 | ND1 | CD2 | 9.1° | 0.0° |
| OD1 | CD1 | ND1 | HND1 | 170.8° | 180.0° |
| OD1 | CD1 | C4 | C3 | 171.0° | 180.0° |
| OD1 | CD1 | C4 | C12 | 9.1° | 0.3° |
| CD1 | ND1 | CD2 | HND1 | 180.0° | 180.0° |
| CD1 | ND1 | CD2 | CD3 | 76.5° | 180.0° |
| CD1 | ND1 | CD2 | HD21 | 163.6° | 60.0° |
| CD1 | ND1 | CD2 | HD22 | 43.5° | 60.0° |
| ND1 | CD1 | C4 | C3 | 10.9° | 0.0° |
| ND1 | CD1 | C4 | C12 | 169.2° | 179.7° |
| C4 | CD1 | ND1 | CD2 | 168.5° | 180.0° |
| C4 | CD1 | ND1 | HND1 | 11.5° | 0.0° |
| CD1 | C4 | C3 | C12 | 179.9° | 179.7° |
| CD1 | C4 | C3 | C2 | 179.8° | 180.0° |
| CD1 | C4 | C3 | H3 | 0.2° | 0.0° |
| CD1 | C4 | C12 | C11 | 180.0° | 179.7° |
| CD1 | C4 | C12 | N10 | 0.2° | 0.6° |
| ND1 | CD2 | CD3 | HD21 | 119.9° | 120.0° |
| ND1 | CD2 | CD3 | HD22 | 120.0° | 120.0° |
| ND1 | CD2 | HD21 | HD22 | 119.9° | 120.0° |
| ND1 | CD2 | CD3 | ND2 | 68.3° | 180.0° |
| ND1 | CD2 | CD3 | HD31 | 170.8° | 60.0° |
| ND1 | CD2 | CD3 | HD32 | 51.7° | 60.0° |
| HND1 | ND1 | CD2 | CD3 | 103.4° | 0.0° |
| HND1 | ND1 | CD2 | HD21 | 16.4° | 120.0° |
| HND1 | ND1 | CD2 | HD22 | 136.5° | 120.0° |
| CD3 | CD2 | HD21 | HD22 | 119.9° | 120.0° |
| CD2 | CD3 | ND2 | HD31 | 120.8° | 120.1° |
| CD2 | CD3 | ND2 | HD32 | 120.0° | 120.0° |
| CD2 | CD3 | HD31 | HD32 | 120.6° | 120.0° |
| CD2 | CD3 | ND2 | CD8 | 178.5° | 76.2° |
| CD2 | CD3 | ND2 | CD7 | 56.0° | 170.0° |
| HD21 | CD2 | CD3 | ND2 | 51.5° | 59.9° |
| HD21 | CD2 | CD3 | HD31 | 69.3° | 180.0° |
| HD21 | CD2 | CD3 | HD32 | 171.6° | 60.0° |
| HD22 | CD2 | CD3 | ND2 | 171.7° | 60.0° |
| HD22 | CD2 | CD3 | HD31 | 50.8° | 60.0° |
| HD22 | CD2 | CD3 | HD32 | 68.3° | 180.0° |
| ND2 | CD3 | HD31 | HD32 | 120.6° | 120.0° |
| CD3 | ND2 | CD8 | CD7 | 124.6° | 113.8° |
| CD3 | ND2 | CD8 | HD81 | 61.7° | 66.2° |
| CD3 | ND2 | CD8 | HD82 | 178.3° | 53.8° |
| CD3 | ND2 | CD8 | HD83 | 58.3° | 173.7° |
| CD3 | ND2 | CD7 | HD71 | 2.7° | 60.0° |
| CD3 | ND2 | CD7 | HD72 | 122.7° | 60.0° |
| CD3 | ND2 | CD7 | HD73 | 117.3° | 180.0° |
| HD31 | CD3 | ND2 | CD8 | 60.6° | 163.8° |
| HD31 | CD3 | ND2 | CD7 | 64.9° | 50.0° |
| HD32 | CD3 | ND2 | CD8 | 58.5° | 43.8° |
| HD32 | CD3 | ND2 | CD7 | 176.0° | 70.0° |
| ND2 | CD8 | HD81 | HD82 | 120.0° | 120.0° |
| ND2 | CD8 | HD81 | HD83 | 120.0° | 120.1° |
| ND2 | CD8 | HD82 | HD83 | 120.0° | 120.0° |
| CD8 | ND2 | CD7 | HD71 | 121.1° | 53.8° |
| CD8 | ND2 | CD7 | HD72 | 1.1° | 173.8° |
| CD8 | ND2 | CD7 | HD73 | 118.9° | 66.2° |
| CD7 | ND2 | CD8 | HD81 | 173.8° | 179.9° |
| CD7 | ND2 | CD8 | HD82 | 53.8° | 60.0° |
| CD7 | ND2 | CD8 | HD83 | 66.2° | 60.0° |
| ND2 | CD7 | HD71 | HD72 | 120.0° | 120.0° |
| ND2 | CD7 | HD71 | HD73 | 120.0° | 119.9° |
| ND2 | CD7 | HD72 | HD73 | 120.0° | 119.9° |
| HD81 | CD8 | HD82 | HD83 | 120.0° | 120.0° |
| HD71 | CD7 | HD72 | HD73 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C12 | C11 | 0.1° | 0.6° |
| C3 | C4 | C12 | N10 | 179.8° | 179.6° |
| C12 | C4 | C3 | C2 | 0.2° | 0.3° |
| C12 | C4 | C3 | H3 | 179.8° | 179.7° |
| C4 | C12 | C11 | N10 | 179.9° | 179.1° |
| C4 | C12 | C11 | C1 | 0.1° | 0.6° |
| C4 | C12 | C11 | C9 | 179.9° | 179.7° |
| C4 | C12 | N10 | C14 | 179.9° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C11 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| H3 | C3 | C2 | C1 | 179.8° | 180.0° |
| H3 | C3 | C2 | H2 | 0.2° | 0.0° |
| C2 | C1 | C11 | C12 | 0.1° | 0.3° |
| C2 | C1 | C11 | H1 | 180.0° | 180.0° |
| C2 | C1 | C11 | C9 | 179.9° | 180.0° |
| H2 | C2 | C1 | C11 | 180.0° | 180.0° |
| H2 | C2 | C1 | H1 | 0.0° | 0.0° |
| C12 | C11 | C1 | C9 | 180.0° | 179.7° |
| C12 | C11 | C1 | H1 | 179.9° | 179.7° |
| C11 | C12 | N10 | C14 | 0.1° | 0.7° |
| C12 | C11 | C9 | C13 | 0.0° | 0.3° |
| C12 | C11 | C9 | N9 | 179.9° | 179.7° |
| N10 | C12 | C11 | C1 | 179.9° | 179.6° |
| N10 | C12 | C11 | C9 | 0.1° | 0.6° |
| C12 | N10 | C14 | C5 | 180.0° | 179.7° |
| C12 | N10 | C14 | C13 | 0.0° | 0.4° |
| C1 | C11 | C9 | C13 | 180.0° | 180.0° |
| C1 | C11 | C9 | N9 | 0.0° | 0.1° |
| C9 | C11 | C1 | H1 | 0.1° | 0.1° |
| C11 | C9 | C13 | C14 | 0.0° | 0.0° |
| C11 | C9 | C13 | C8 | 180.0° | 180.0° |
| C11 | C9 | C13 | N9 | 180.0° | 180.0° |
| C11 | C9 | N9 | CX1 | 108.0° | 83.3° |
| C11 | C9 | N9 | HN9 | 12.0° | 30.4° |
| N10 | C14 | C5 | C13 | 180.0° | 180.0° |
| N10 | C14 | C5 | C6 | 180.0° | 180.0° |
| N10 | C14 | C5 | H5 | 0.0° | 0.0° |
| N10 | C14 | C13 | C8 | 180.0° | 180.0° |
| N10 | C14 | C13 | C9 | 0.0° | 0.0° |
| C14 | C5 | C6 | H5 | 180.0° | 180.0° |
| C14 | C5 | C6 | C7 | 0.1° | 0.0° |
| C14 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C14 | C13 | C8 | 0.0° | 0.0° |
| C5 | C14 | C13 | C9 | 180.0° | 180.0° |
| C13 | C14 | C5 | C6 | 0.0° | 0.0° |
| C13 | C14 | C5 | H5 | 180.0° | 180.0° |
| C14 | C13 | C8 | C7 | 0.0° | 0.0° |
| C14 | C13 | C8 | C9 | 180.0° | 180.0° |
| C14 | C13 | C8 | H8 | 180.0° | 180.0° |
| C14 | C13 | C9 | N9 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C13 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| C7 | C8 | C13 | H8 | 180.0° | 180.0° |
| C7 | C8 | C13 | C9 | 180.0° | 180.0° |
| H7 | C7 | C8 | C13 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| C8 | C13 | C9 | N9 | 0.0° | 0.0° |
| C9 | C13 | C8 | H8 | 0.0° | 0.0° |
| C13 | C9 | N9 | CX1 | 71.9° | 96.7° |
| C13 | C9 | N9 | HN9 | 168.0° | 149.5° |
| C9 | N9 | CX1 | HN9 | 120.0° | 113.7° |
| C9 | N9 | CX1 | CX2 | 126.3° | 174.9° |
| C9 | N9 | CX1 | HX11 | 113.2° | 54.9° |
| C9 | N9 | CX1 | HX12 | 6.3° | 65.1° |
| N9 | CX1 | CX2 | HX11 | 120.5° | 120.0° |
| N9 | CX1 | CX2 | HX12 | 120.0° | 120.0° |
| N9 | CX1 | HX11 | HX12 | 120.4° | 120.1° |
| N9 | CX1 | CX2 | CX3 | 175.7° | 180.0° |
| N9 | CX1 | CX2 | HX21 | 57.7° | 60.1° |
| N9 | CX1 | CX2 | HX22 | 64.3° | 59.9° |
| HN9 | N9 | CX1 | CX2 | 113.7° | 71.4° |
| HN9 | N9 | CX1 | HX11 | 6.8° | 168.7° |
| HN9 | N9 | CX1 | HX12 | 126.3° | 48.6° |
| CX2 | CX1 | HX11 | HX12 | 120.3° | 119.9° |
| CX1 | CX2 | CX3 | HX21 | 118.0° | 119.9° |
| CX1 | CX2 | CX3 | HX22 | 120.0° | 120.0° |
| CX1 | CX2 | HX21 | HX22 | 118.8° | 120.0° |
| CX1 | CX2 | CX3 | CX6 | 175.4° | 180.0° |
| CX1 | CX2 | CX3 | HX31 | 54.6° | 60.0° |
| CX1 | CX2 | CX3 | HX32 | 64.6° | 60.0° |
| HX11 | CX1 | CX2 | CX3 | 63.8° | 60.0° |
| HX11 | CX1 | CX2 | HX21 | 178.2° | 180.0° |
| HX11 | CX1 | CX2 | HX22 | 56.2° | 60.0° |
| HX12 | CX1 | CX2 | CX3 | 55.7° | 60.0° |
| HX12 | CX1 | CX2 | HX21 | 62.4° | 60.0° |
| HX12 | CX1 | CX2 | HX22 | 175.6° | 180.0° |
| CX3 | CX2 | HX21 | HX22 | 118.7° | 120.1° |
| CX2 | CX3 | CX6 | HX31 | 120.8° | 120.0° |
| CX2 | CX3 | CX6 | HX32 | 120.0° | 120.0° |
| CX2 | CX3 | HX31 | HX32 | 120.5° | 120.0° |
| CX2 | CX3 | CX6 | CX5 | 72.6° | 180.0° |
| CX2 | CX3 | CX6 | HX61 | 166.6° | 60.0° |
| CX2 | CX3 | CX6 | HX62 | 47.4° | 60.0° |
| HX21 | CX2 | CX3 | CX6 | 66.6° | 60.1° |
| HX21 | CX2 | CX3 | HX31 | 172.7° | 179.9° |
| HX21 | CX2 | CX3 | HX32 | 53.5° | 60.0° |
| HX22 | CX2 | CX3 | CX6 | 55.4° | 60.0° |
| HX22 | CX2 | CX3 | HX31 | 65.4° | 60.0° |
| HX22 | CX2 | CX3 | HX32 | 175.4° | 180.0° |
| CX6 | CX3 | HX31 | HX32 | 120.5° | 120.0° |
| CX3 | CX6 | CX5 | CX4 | 175.4° | 180.0° |
| CX3 | CX6 | CX5 | HX61 | 120.7° | 120.0° |
| CX3 | CX6 | CX5 | HX62 | 120.0° | 120.0° |
| CX3 | CX6 | CX5 | HX51 | 66.6° | 60.0° |
| CX3 | CX6 | CX5 | HX52 | 55.4° | 59.9° |
| CX3 | CX6 | HX61 | HX62 | 120.5° | 120.0° |
| HX31 | CX3 | CX6 | CX5 | 48.2° | 60.0° |
| HX31 | CX3 | CX6 | HX61 | 72.6° | 180.0° |
| HX31 | CX3 | CX6 | HX62 | 168.2° | 60.1° |
| HX32 | CX3 | CX6 | CX5 | 167.4° | 60.0° |
| HX32 | CX3 | CX6 | HX61 | 46.6° | 60.0° |
| HX32 | CX3 | CX6 | HX62 | 72.6° | 180.0° |
| OD2 | CD4 | ND3 | C25 | 159.4° | 180.0° |
| OD2 | CD4 | ND3 | CD5 | 9.1° | 0.0° |
| OD2 | CD4 | ND3 | HND3 | 170.8° | 180.0° |
| OD2 | CD4 | C25 | C26 | 171.0° | 180.0° |
| OD2 | CD4 | C25 | C27 | 9.1° | 0.0° |
| CD4 | ND3 | CD5 | HND3 | 180.0° | 180.0° |
| CD4 | ND3 | CD5 | CD6 | 76.5° | 179.9° |
| CD4 | ND3 | CD5 | HD51 | 163.6° | 60.0° |
| CD4 | ND3 | CD5 | HD52 | 43.5° | 60.0° |
| ND3 | CD4 | C25 | C26 | 10.9° | 0.0° |
| ND3 | CD4 | C25 | C27 | 169.2° | 180.0° |
| C25 | CD4 | ND3 | CD5 | 168.5° | 180.0° |
| C25 | CD4 | ND3 | HND3 | 11.5° | 0.0° |
| CD4 | C25 | C26 | C27 | 179.9° | 180.0° |
| CD4 | C25 | C26 | C15 | 179.8° | 180.0° |
| CD4 | C25 | C26 | H26 | 0.2° | 0.0° |
| CD4 | C25 | C27 | C16 | 180.0° | 179.8° |
| CD4 | C25 | C27 | N12 | 0.2° | 0.1° |
| ND3 | CD5 | CD6 | HD51 | 119.9° | 119.9° |
| ND3 | CD5 | CD6 | HD52 | 120.0° | 120.0° |
| ND3 | CD5 | HD51 | HD52 | 119.9° | 120.0° |
| ND3 | CD5 | CD6 | ND4 | 68.3° | 180.0° |
| ND3 | CD5 | CD6 | HD61 | 170.8° | 60.0° |
| ND3 | CD5 | CD6 | HD62 | 51.7° | 60.0° |
| HND3 | ND3 | CD5 | CD6 | 103.4° | 0.0° |
| HND3 | ND3 | CD5 | HD51 | 16.4° | 120.0° |
| HND3 | ND3 | CD5 | HD52 | 136.5° | 120.0° |
| CD6 | CD5 | HD51 | HD52 | 119.9° | 120.0° |
| CD5 | CD6 | ND4 | HD61 | 120.8° | 120.0° |
| CD5 | CD6 | ND4 | HD62 | 120.0° | 120.1° |
| CD5 | CD6 | HD61 | HD62 | 120.6° | 120.1° |
| CD5 | CD6 | ND4 | CD0 | 178.5° | 169.9° |
| CD5 | CD6 | ND4 | CD9 | 56.0° | 76.3° |
| HD51 | CD5 | CD6 | ND4 | 51.5° | 60.1° |
| HD51 | CD5 | CD6 | HD61 | 69.3° | 180.0° |
| HD51 | CD5 | CD6 | HD62 | 171.6° | 60.0° |
| HD52 | CD5 | CD6 | ND4 | 171.7° | 60.0° |
| HD52 | CD5 | CD6 | HD61 | 50.8° | 60.0° |
| HD52 | CD5 | CD6 | HD62 | 68.3° | 180.0° |
| ND4 | CD6 | HD61 | HD62 | 120.6° | 120.0° |
| CD6 | ND4 | CD0 | CD9 | 124.6° | 113.8° |
| CD6 | ND4 | CD0 | HD01 | 118.4° | 60.0° |
| CD6 | ND4 | CD0 | HD02 | 1.7° | 180.0° |
| CD6 | ND4 | CD0 | HD03 | 121.7° | 60.0° |
| CD6 | ND4 | CD9 | HD91 | 177.3° | 180.0° |
| CD6 | ND4 | CD9 | HD92 | 57.3° | 60.0° |
| CD6 | ND4 | CD9 | HD93 | 62.7° | 60.0° |
| HD61 | CD6 | ND4 | CD0 | 60.6° | 50.0° |
| HD61 | CD6 | ND4 | CD9 | 64.9° | 163.8° |
| HD62 | CD6 | ND4 | CD0 | 58.5° | 70.0° |
| HD62 | CD6 | ND4 | CD9 | 176.0° | 43.8° |
| ND4 | CD0 | HD01 | HD02 | 120.0° | 120.0° |
| ND4 | CD0 | HD01 | HD03 | 120.0° | 120.0° |
| ND4 | CD0 | HD02 | HD03 | 120.0° | 120.0° |
| CD0 | ND4 | CD9 | HD91 | 58.9° | 66.2° |
| CD0 | ND4 | CD9 | HD92 | 179.0° | 53.8° |
| CD0 | ND4 | CD9 | HD93 | 61.0° | 173.8° |
| CD9 | ND4 | CD0 | HD01 | 6.2° | 53.8° |
| CD9 | ND4 | CD0 | HD02 | 126.3° | 66.2° |
| CD9 | ND4 | CD0 | HD03 | 113.8° | 173.8° |
| ND4 | CD9 | HD91 | HD92 | 120.0° | 120.0° |
| ND4 | CD9 | HD91 | HD93 | 120.0° | 120.0° |
| ND4 | CD9 | HD92 | HD93 | 120.0° | 120.0° |
| HD01 | CD0 | HD02 | HD03 | 120.0° | 120.0° |
| HD91 | CD9 | HD92 | HD93 | 120.0° | 120.0° |
| C25 | C26 | C15 | H26 | 180.0° | 180.0° |
| C25 | C26 | C15 | C17 | 0.2° | 0.0° |
| C25 | C26 | C15 | H15 | 179.8° | 180.0° |
| C26 | C25 | C27 | C16 | 0.1° | 0.2° |
| C26 | C25 | C27 | N12 | 179.8° | 180.0° |
| C27 | C25 | C26 | C15 | 0.2° | 0.0° |
| C27 | C25 | C26 | H26 | 179.8° | 180.0° |
| C25 | C27 | C16 | N12 | 179.9° | 179.9° |
| C25 | C27 | C16 | C17 | 0.1° | 0.4° |
| C25 | C27 | C16 | C24 | 179.9° | 179.7° |
| C25 | C27 | N12 | C18 | 179.9° | 180.0° |
| C26 | C15 | C17 | H15 | 180.0° | 180.0° |
| C26 | C15 | C17 | C16 | 0.0° | 0.2° |
| C26 | C15 | C17 | H17 | 180.0° | 180.0° |
| H26 | C26 | C15 | C17 | 179.8° | 180.0° |
| H26 | C26 | C15 | H15 | 0.2° | 0.0° |
| C15 | C17 | C16 | C27 | 0.1° | 0.4° |
| C15 | C17 | C16 | H17 | 180.0° | 179.8° |
| C15 | C17 | C16 | C24 | 179.9° | 179.7° |
| H15 | C15 | C17 | C16 | 180.0° | 179.8° |
| H15 | C15 | C17 | H17 | 0.0° | 0.0° |
| C27 | C16 | C17 | C24 | 180.0° | 179.3° |
| C27 | C16 | C17 | H17 | 179.9° | 179.8° |
| C16 | C27 | N12 | C18 | 0.1° | 0.1° |
| C27 | C16 | C24 | C22 | 0.0° | 0.5° |
| C27 | C16 | C24 | N11 | 179.9° | 179.8° |
| N12 | C27 | C16 | C17 | 179.9° | 179.7° |
| N12 | C27 | C16 | C24 | 0.1° | 0.4° |
| C27 | N12 | C18 | C19 | 180.0° | 180.0° |
| C27 | N12 | C18 | C22 | 0.0° | 0.1° |
| C17 | C16 | C24 | C22 | 180.0° | 179.8° |
| C17 | C16 | C24 | N11 | 0.0° | 0.5° |
| C24 | C16 | C17 | H17 | 0.1° | 0.5° |
| C16 | C24 | C22 | C18 | 0.0° | 0.3° |
| C16 | C24 | C22 | C23 | 180.0° | 179.8° |
| C16 | C24 | C22 | N11 | 180.0° | 179.7° |
| C16 | C24 | N11 | CX4 | 108.0° | 96.5° |
| C16 | C24 | N11 | HN11 | 12.0° | 149.7° |
| N12 | C18 | C19 | C22 | 180.0° | 180.0° |
| N12 | C18 | C19 | C20 | 180.0° | 180.0° |
| N12 | C18 | C19 | H19 | 0.0° | 0.0° |
| N12 | C18 | C22 | C23 | 180.0° | 180.0° |
| N12 | C18 | C22 | C24 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C18 | C22 | C23 | 0.0° | 0.0° |
| C19 | C18 | C22 | C24 | 180.0° | 180.0° |
| C22 | C18 | C19 | C20 | 0.0° | 0.0° |
| C22 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C22 | C23 | C21 | 0.0° | 0.0° |
| C18 | C22 | C23 | C24 | 180.0° | 179.9° |
| C18 | C22 | C23 | H23 | 180.0° | 180.0° |
| C18 | C22 | C24 | N11 | 180.0° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C23 | 0.1° | 0.1° |
| C19 | C20 | C21 | H21 | 179.9° | 179.9° |
| H19 | C19 | C20 | C21 | 179.9° | 179.9° |
| H19 | C19 | C20 | H20 | 0.1° | 0.0° |
| C20 | C21 | C23 | H21 | 180.0° | 180.0° |
| C20 | C21 | C23 | C22 | 0.1° | 0.1° |
| C20 | C21 | C23 | H23 | 179.9° | 180.0° |
| H20 | C20 | C21 | C23 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| C21 | C23 | C22 | H23 | 180.0° | 179.9° |
| C21 | C23 | C22 | C24 | 180.0° | 179.9° |
| H21 | C21 | C23 | C22 | 179.9° | 180.0° |
| H21 | C21 | C23 | H23 | 0.1° | 0.0° |
| C23 | C22 | C24 | N11 | 0.0° | 0.0° |
| C24 | C22 | C23 | H23 | 0.0° | 0.0° |
| C22 | C24 | N11 | CX4 | 71.9° | 83.8° |
| C22 | C24 | N11 | HN11 | 168.0° | 30.0° |
| C24 | N11 | CX4 | HN11 | 120.0° | 113.8° |
| C24 | N11 | CX4 | CX5 | 126.3° | 176.6° |
| C24 | N11 | CX4 | HX41 | 113.2° | 63.3° |
| C24 | N11 | CX4 | HX42 | 6.3° | 56.6° |
| N11 | CX4 | CX5 | HX41 | 120.5° | 120.1° |
| N11 | CX4 | CX5 | HX42 | 120.0° | 120.0° |
| N11 | CX4 | HX41 | HX42 | 120.4° | 120.0° |
| N11 | CX4 | CX5 | CX6 | 175.7° | 179.9° |
| N11 | CX4 | CX5 | HX51 | 57.7° | 60.0° |
| N11 | CX4 | CX5 | HX52 | 64.3° | 60.0° |
| HN11 | N11 | CX4 | CX5 | 113.7° | 62.8° |
| HN11 | N11 | CX4 | HX41 | 6.8° | 177.1° |
| HN11 | N11 | CX4 | HX42 | 126.3° | 57.2° |
| CX5 | CX4 | HX41 | HX42 | 120.3° | 120.0° |
| CX4 | CX5 | CX6 | HX51 | 118.0° | 120.0° |
| CX4 | CX5 | CX6 | HX52 | 120.0° | 120.1° |
| CX4 | CX5 | HX51 | HX52 | 118.8° | 120.0° |
| CX4 | CX5 | CX6 | HX61 | 63.8° | 60.0° |
| CX4 | CX5 | CX6 | HX62 | 55.4° | 60.0° |
| HX41 | CX4 | CX5 | CX6 | 63.8° | 60.0° |
| HX41 | CX4 | CX5 | HX51 | 178.2° | 180.0° |
| HX41 | CX4 | CX5 | HX52 | 56.2° | 60.1° |
| HX42 | CX4 | CX5 | CX6 | 55.7° | 60.0° |
| HX42 | CX4 | CX5 | HX51 | 62.4° | 60.0° |
| HX42 | CX4 | CX5 | HX52 | 175.6° | 180.0° |
| CX6 | CX5 | HX51 | HX52 | 118.7° | 120.0° |
| CX5 | CX6 | HX61 | HX62 | 120.5° | 120.1° |
| HX51 | CX5 | CX6 | HX61 | 54.2° | 180.0° |
| HX51 | CX5 | CX6 | HX62 | 173.4° | 60.0° |
| HX52 | CX5 | CX6 | HX61 | 176.1° | 60.0° |
| HX52 | CX5 | CX6 | HX62 | 64.6° | 180.0° |
