RJR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C3 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C26 | C20 | sing | 1.53Å | 1.53Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | O28 | sing | 1.43Å | 1.39Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C18 | sing | 1.53Å | 1.53Å | |
| C4 | O31 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C27 | sing | 1.53Å | 1.54Å | |
| C17 | O16 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C5 | O32 | sing | 1.43Å | 1.44Å | |
| C22 | C27 | sing | 1.53Å | 1.53Å | |
| C12 | N8 | sing | 1.35Å | 1.33Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.39Å | Aromatic |
| N8 | N9 | sing | 1.29Å | 1.39Å | Aromatic |
| O16 | C15 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C11 | C13 | sing | 1.51Å | 1.50Å | |
| C11 | N10 | sing | 1.34Å | 1.34Å | Aromatic |
| N9 | N10 | doub | 1.29Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| O28 | H34 | sing | 0.97Å | 0.95Å | |
| O30 | H35 | sing | 0.97Å | 0.95Å | |
| O31 | H36 | sing | 0.97Å | 0.95Å | |
| O32 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C3 | C2 | 110.6° | 109.5° |
| O30 | C3 | C4 | 113.3° | 109.5° |
| O30 | C3 | H4 | 108.0° | 109.5° |
| C3 | O30 | H35 | 109.5° | 114.0° |
| C3 | C2 | C1 | 110.1° | 109.4° |
| C2 | C3 | C4 | 111.2° | 109.4° |
| C3 | C2 | H2 | 109.3° | 109.4° |
| C3 | C2 | H3 | 109.3° | 109.4° |
| C2 | C3 | H4 | 106.8° | 109.5° |
| C2 | C1 | O28 | 109.8° | 109.5° |
| C2 | C1 | C6 | 110.8° | 109.5° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C20 | C26 | C24 | 109.5° | 109.5° |
| C26 | C20 | C19 | 109.6° | 109.5° |
| C26 | C20 | C21 | 108.9° | 109.5° |
| C26 | C20 | H21 | 109.4° | 109.5° |
| C20 | C26 | H30 | 109.5° | 109.5° |
| C20 | C26 | H31 | 109.4° | 109.4° |
| C26 | C24 | C25 | 108.4° | 109.5° |
| C26 | C24 | C23 | 109.0° | 109.5° |
| C26 | C24 | H27 | 109.9° | 109.5° |
| C24 | C26 | H30 | 109.5° | 109.5° |
| C24 | C26 | H31 | 109.5° | 109.5° |
| C3 | C4 | O31 | 108.0° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.5° |
| C4 | C3 | H4 | 106.5° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.5° |
| O28 | C1 | C6 | 112.2° | 109.5° |
| O28 | C1 | H1 | 109.1° | 109.4° |
| C1 | O28 | H34 | 109.5° | 114.0° |
| C1 | C6 | C7 | 110.1° | 109.5° |
| C1 | C6 | C5 | 112.1° | 109.5° |
| C6 | C1 | H1 | 107.3° | 109.5° |
| C1 | C6 | H7 | 105.1° | 109.5° |
| C19 | C20 | C21 | 110.1° | 109.5° |
| C20 | C19 | C18 | 110.3° | 109.5° |
| C20 | C19 | H19 | 109.3° | 109.5° |
| C20 | C19 | H20 | 109.3° | 109.5° |
| C19 | C20 | H21 | 109.4° | 109.5° |
| C20 | C21 | C22 | 109.6° | 109.5° |
| C21 | C20 | H21 | 109.4° | 109.5° |
| C20 | C21 | H22 | 109.4° | 109.5° |
| C20 | C21 | H23 | 109.4° | 109.5° |
| C19 | C18 | C25 | 107.7° | 109.5° |
| C19 | C18 | C17 | 111.0° | 109.4° |
| C19 | C18 | C27 | 107.8° | 109.5° |
| C18 | C19 | H19 | 109.3° | 109.5° |
| C18 | C19 | H20 | 109.3° | 109.5° |
| C25 | C24 | C23 | 110.1° | 109.4° |
| C24 | C25 | C18 | 111.0° | 109.5° |
| C25 | C24 | H27 | 109.8° | 109.5° |
| C24 | C25 | H28 | 109.1° | 109.5° |
| C24 | C25 | H29 | 109.1° | 109.4° |
| C24 | C23 | C22 | 110.6° | 109.5° |
| C24 | C23 | H25 | 109.2° | 109.4° |
| C24 | C23 | H26 | 109.2° | 109.4° |
| C23 | C24 | H27 | 109.7° | 109.5° |
| C25 | C18 | C17 | 109.4° | 109.5° |
| C25 | C18 | C27 | 110.0° | 109.5° |
| C18 | C25 | H28 | 109.1° | 109.5° |
| C18 | C25 | H29 | 109.0° | 109.5° |
| O31 | C4 | C5 | 109.1° | 109.5° |
| O31 | C4 | H5 | 110.6° | 109.4° |
| C4 | O31 | H36 | 109.5° | 114.0° |
| C4 | C5 | C6 | 109.5° | 109.5° |
| C4 | C5 | O32 | 109.9° | 109.4° |
| C5 | C4 | H5 | 108.9° | 109.5° |
| C4 | C5 | H6 | 107.8° | 109.5° |
| C7 | C6 | C5 | 118.1° | 109.5° |
| C6 | C7 | N8 | 119.8° | 109.4° |
| C7 | C6 | H7 | 105.0° | 109.5° |
| C6 | C7 | H8 | 106.8° | 109.4° |
| C6 | C7 | H9 | 106.8° | 109.5° |
| C6 | C5 | O32 | 112.5° | 109.5° |
| C6 | C5 | H6 | 108.0° | 109.5° |
| C5 | C6 | H7 | 105.2° | 109.5° |
| C21 | C22 | C23 | 107.6° | 109.5° |
| C21 | C22 | C27 | 110.1° | 109.5° |
| C22 | C21 | H22 | 109.4° | 109.5° |
| C22 | C21 | H23 | 109.4° | 109.5° |
| C21 | C22 | H24 | 109.8° | 109.4° |
| C17 | C18 | C27 | 110.8° | 109.5° |
| C18 | C17 | O16 | 111.1° | 109.5° |
| C18 | C17 | H17 | 109.1° | 109.5° |
| C18 | C17 | H18 | 109.1° | 109.4° |
| C18 | C27 | C22 | 110.3° | 109.4° |
| C18 | C27 | H32 | 109.3° | 109.5° |
| C18 | C27 | H33 | 109.3° | 109.4° |
| C17 | O16 | C15 | 112.3° | 114.0° |
| O16 | C17 | H17 | 109.1° | 109.5° |
| O16 | C17 | H18 | 109.0° | 109.5° |
| C23 | C22 | C27 | 109.8° | 109.5° |
| C23 | C22 | H24 | 109.8° | 109.5° |
| C22 | C23 | H25 | 109.2° | 109.5° |
| C22 | C23 | H26 | 109.2° | 109.5° |
| C7 | N8 | C12 | 140.3° | 125.9° |
| C7 | N8 | N9 | 109.4° | 125.9° |
| N8 | C7 | H8 | 106.8° | 109.5° |
| N8 | C7 | H9 | 106.8° | 109.5° |
| O32 | C5 | H6 | 109.0° | 109.5° |
| C5 | O32 | H37 | 109.5° | 114.0° |
| C27 | C22 | H24 | 109.7° | 109.5° |
| C22 | C27 | H32 | 109.3° | 109.5° |
| C22 | C27 | H33 | 109.2° | 109.5° |
| N8 | C12 | C11 | 107.0° | 106.2° |
| C12 | N8 | N9 | 109.8° | 108.2° |
| N8 | C12 | H10 | 126.5° | 126.9° |
| C12 | C11 | C13 | 131.8° | 126.8° |
| C12 | C11 | N10 | 108.5° | 106.5° |
| C11 | C12 | H10 | 126.5° | 127.0° |
| N8 | N9 | N10 | 105.7° | 110.2° |
| O16 | C15 | C14 | 106.3° | 109.5° |
| O16 | C15 | H15 | 110.2° | 109.4° |
| O16 | C15 | H16 | 110.3° | 109.5° |
| C15 | C14 | C13 | 110.5° | 109.4° |
| C15 | C14 | H13 | 109.2° | 109.4° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C14 | C15 | H15 | 110.3° | 109.4° |
| C14 | C15 | H16 | 110.2° | 109.5° |
| C14 | C13 | C11 | 111.8° | 109.5° |
| C14 | C13 | H11 | 108.9° | 109.5° |
| C14 | C13 | H12 | 108.9° | 109.5° |
| C13 | C14 | H13 | 109.2° | 109.5° |
| C13 | C14 | H14 | 109.2° | 109.5° |
| C13 | C11 | N10 | 119.7° | 126.7° |
| C11 | C13 | H11 | 108.9° | 109.5° |
| C11 | C13 | H12 | 108.9° | 109.4° |
| C11 | N10 | N9 | 108.8° | 108.9° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.4° |
| H32 | C27 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C3 | C2 | C4 | 126.9° | 120.0° |
| O30 | C3 | C2 | H4 | 117.3° | 120.0° |
| O30 | C3 | C2 | C1 | 175.9° | 180.0° |
| O30 | C3 | C4 | H4 | 118.7° | 120.0° |
| O30 | C3 | C4 | O31 | 57.5° | 60.0° |
| O30 | C3 | C4 | C5 | 177.2° | 180.0° |
| O30 | C3 | C2 | H2 | 55.8° | 60.0° |
| O30 | C3 | C2 | H3 | 64.0° | 60.0° |
| O30 | C3 | C4 | H5 | 62.7° | 59.9° |
| C3 | C2 | C1 | H2 | 120.1° | 120.0° |
| C3 | C2 | C1 | H3 | 120.1° | 119.9° |
| C2 | C3 | C4 | H4 | 116.0° | 120.0° |
| C3 | C2 | C1 | O28 | 68.0° | 60.0° |
| C3 | C2 | C1 | C6 | 56.5° | 60.0° |
| C2 | C3 | C4 | O31 | 177.2° | 180.0° |
| C2 | C3 | C4 | C5 | 57.4° | 60.0° |
| C3 | C2 | C1 | H1 | 173.5° | 180.0° |
| C3 | C2 | H2 | H3 | 119.7° | 119.9° |
| C2 | C3 | C4 | H5 | 62.6° | 60.0° |
| C2 | C3 | O30 | H35 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 57.2° | 60.0° |
| C2 | C1 | O28 | C6 | 123.7° | 120.1° |
| C2 | C1 | O28 | H1 | 117.5° | 120.0° |
| C2 | C1 | C6 | H1 | 117.0° | 120.0° |
| C2 | C1 | C6 | C7 | 169.6° | 180.0° |
| C2 | C1 | C6 | C5 | 56.8° | 60.0° |
| C1 | C2 | H2 | H3 | 119.7° | 120.1° |
| C1 | C2 | C3 | H4 | 58.6° | 60.0° |
| C2 | C1 | C6 | H7 | 57.0° | 60.0° |
| C2 | C1 | O28 | H34 | 180.0° | 60.0° |
| C20 | C26 | C24 | H30 | 120.0° | 120.0° |
| C20 | C26 | C24 | H31 | 120.0° | 120.0° |
| C26 | C20 | C19 | C21 | 119.8° | 120.0° |
| C26 | C20 | C19 | H21 | 119.9° | 120.0° |
| C26 | C20 | C21 | H21 | 119.6° | 120.0° |
| C26 | C20 | C19 | C18 | 59.6° | 60.0° |
| C20 | C26 | C24 | C25 | 60.5° | 60.0° |
| C20 | C26 | C24 | C23 | 59.4° | 60.0° |
| C26 | C20 | C21 | C22 | 61.9° | 60.0° |
| C26 | C20 | C19 | H19 | 179.7° | 60.1° |
| C26 | C20 | C19 | H20 | 60.5° | 180.0° |
| C26 | C20 | C21 | H22 | 58.1° | 60.0° |
| C26 | C20 | C21 | H23 | 178.1° | 180.0° |
| C20 | C26 | C24 | H27 | 179.6° | 180.0° |
| C20 | C26 | H30 | H31 | 120.0° | 119.9° |
| C24 | C26 | C20 | C19 | 60.0° | 60.0° |
| C24 | C26 | C20 | C21 | 60.5° | 60.0° |
| C26 | C24 | C25 | C23 | 119.1° | 120.0° |
| C26 | C24 | C25 | H27 | 120.0° | 120.0° |
| C26 | C24 | C23 | H27 | 120.3° | 120.0° |
| C26 | C24 | C25 | C18 | 61.7° | 60.0° |
| C26 | C24 | C23 | C22 | 60.3° | 60.0° |
| C24 | C26 | C20 | H21 | 179.9° | 180.0° |
| C26 | C24 | C23 | H25 | 179.5° | 60.0° |
| C26 | C24 | C23 | H26 | 59.9° | 180.0° |
| C26 | C24 | C25 | H28 | 58.5° | 180.0° |
| C26 | C24 | C25 | H29 | 178.1° | 60.0° |
| C24 | C26 | H30 | H31 | 120.0° | 120.0° |
| C3 | C4 | O31 | C5 | 121.1° | 120.0° |
| C3 | C4 | O31 | H5 | 119.1° | 119.9° |
| C3 | C4 | C5 | H5 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 55.6° | 60.0° |
| C3 | C4 | C5 | O32 | 179.6° | 180.0° |
| C4 | C3 | C2 | H2 | 177.3° | 60.0° |
| C4 | C3 | C2 | H3 | 62.9° | 180.0° |
| C3 | C4 | C5 | H6 | 61.7° | 60.0° |
| C4 | C3 | O30 | H35 | 54.3° | 180.0° |
| C3 | C4 | O31 | H36 | 180.0° | 59.9° |
| O28 | C1 | C6 | H1 | 119.8° | 119.9° |
| O28 | C1 | C6 | C7 | 67.3° | 60.0° |
| O28 | C1 | C6 | C5 | 66.4° | 60.0° |
| O28 | C1 | C2 | H2 | 52.1° | 180.0° |
| O28 | C1 | C2 | H3 | 171.9° | 59.9° |
| O28 | C1 | C6 | H7 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 55.6° | 60.0° |
| C1 | C6 | C7 | C5 | 130.5° | 120.0° |
| C1 | C6 | C7 | H7 | 112.6° | 120.0° |
| C1 | C6 | C5 | H7 | 113.6° | 120.0° |
| C1 | C6 | C7 | N8 | 80.5° | 65.0° |
| C1 | C6 | C5 | O32 | 178.1° | 180.0° |
| C6 | C1 | C2 | H2 | 176.6° | 60.0° |
| C6 | C1 | C2 | H3 | 63.6° | 180.0° |
| C1 | C6 | C5 | H6 | 61.6° | 60.0° |
| C1 | C6 | C7 | H8 | 40.9° | 175.0° |
| C1 | C6 | C7 | H9 | 158.0° | 55.0° |
| C6 | C1 | O28 | H34 | 56.3° | 179.9° |
| C19 | C20 | C21 | H21 | 120.2° | 120.0° |
| C20 | C19 | C18 | H19 | 120.1° | 120.0° |
| C20 | C19 | C18 | H20 | 120.1° | 120.0° |
| C20 | C19 | C18 | C25 | 58.7° | 60.0° |
| C19 | C20 | C21 | C22 | 58.3° | 60.0° |
| C20 | C19 | C18 | C17 | 178.5° | 180.0° |
| C20 | C19 | C18 | C27 | 60.0° | 60.0° |
| C20 | C19 | H19 | H20 | 119.6° | 120.0° |
| C19 | C20 | C21 | H22 | 178.4° | 180.0° |
| C19 | C20 | C21 | H23 | 61.7° | 60.0° |
| C19 | C20 | C26 | H30 | 60.0° | 60.1° |
| C19 | C20 | C26 | H31 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 60.2° | 60.0° |
| C20 | C21 | C22 | H22 | 120.0° | 120.0° |
| C20 | C21 | C22 | H23 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 61.3° | 60.0° |
| C20 | C21 | C22 | C27 | 58.3° | 60.0° |
| C21 | C20 | C19 | H19 | 59.9° | 180.0° |
| C21 | C20 | C19 | H20 | 179.7° | 60.1° |
| C20 | C21 | H22 | H23 | 119.9° | 120.0° |
| C20 | C21 | C22 | H24 | 179.3° | 180.0° |
| C21 | C20 | C26 | H30 | 179.5° | 180.0° |
| C21 | C20 | C26 | H31 | 59.5° | 60.0° |
| C19 | C18 | C25 | C24 | 60.4° | 60.0° |
| C19 | C18 | C25 | C17 | 120.8° | 120.0° |
| C19 | C18 | C25 | C27 | 117.3° | 120.0° |
| C19 | C18 | C17 | C27 | 119.8° | 120.0° |
| C19 | C18 | C17 | O16 | 155.3° | 60.0° |
| C19 | C18 | C27 | C22 | 59.9° | 60.0° |
| C19 | C18 | C17 | H17 | 35.0° | 60.0° |
| C19 | C18 | C17 | H18 | 84.5° | 180.0° |
| C18 | C19 | H19 | H20 | 119.6° | 120.0° |
| C18 | C19 | C20 | H21 | 179.5° | 180.0° |
| C19 | C18 | C25 | H28 | 59.8° | 180.0° |
| C19 | C18 | C25 | H29 | 179.3° | 60.0° |
| C19 | C18 | C27 | H32 | 60.2° | 60.0° |
| C19 | C18 | C27 | H33 | 179.9° | 180.0° |
| C25 | C24 | C23 | H27 | 120.9° | 120.0° |
| C24 | C25 | C18 | H28 | 120.2° | 120.0° |
| C24 | C25 | C18 | H29 | 120.2° | 120.0° |
| C24 | C25 | C18 | C17 | 178.8° | 180.0° |
| C24 | C25 | C18 | C27 | 56.8° | 60.0° |
| C25 | C24 | C23 | C22 | 58.4° | 60.0° |
| C25 | C24 | C23 | H25 | 61.7° | 180.0° |
| C25 | C24 | C23 | H26 | 178.6° | 60.0° |
| C24 | C25 | H28 | H29 | 119.3° | 119.9° |
| C25 | C24 | C26 | H30 | 59.5° | 60.0° |
| C25 | C24 | C26 | H31 | 179.6° | 180.0° |
| C23 | C24 | C25 | C18 | 57.4° | 60.0° |
| C24 | C23 | C22 | C21 | 60.7° | 60.0° |
| C24 | C23 | C22 | H25 | 120.2° | 120.0° |
| C24 | C23 | C22 | H26 | 120.2° | 120.0° |
| C24 | C23 | C22 | C27 | 59.1° | 60.0° |
| C24 | C23 | C22 | H24 | 179.8° | 180.0° |
| C24 | C23 | H25 | H26 | 119.5° | 119.9° |
| C23 | C24 | C25 | H28 | 177.6° | 60.1° |
| C23 | C24 | C25 | H29 | 62.8° | 180.0° |
| C23 | C24 | C26 | H30 | 179.3° | 180.0° |
| C23 | C24 | C26 | H31 | 60.6° | 60.0° |
| C25 | C18 | C17 | C27 | 121.4° | 120.0° |
| C25 | C18 | C17 | O16 | 85.9° | 60.0° |
| C25 | C18 | C27 | C22 | 57.3° | 60.0° |
| C25 | C18 | C17 | H17 | 153.8° | 180.0° |
| C25 | C18 | C17 | H18 | 34.3° | 60.0° |
| C25 | C18 | C19 | H19 | 178.8° | 60.0° |
| C25 | C18 | C19 | H20 | 61.4° | 180.0° |
| C18 | C25 | C24 | H27 | 178.3° | 180.0° |
| C18 | C25 | H28 | H29 | 119.3° | 120.0° |
| C25 | C18 | C27 | H32 | 177.4° | 180.0° |
| C25 | C18 | C27 | H33 | 62.8° | 60.0° |
| O31 | C4 | C5 | H5 | 120.9° | 120.0° |
| O31 | C4 | C5 | C6 | 174.7° | 180.0° |
| O31 | C4 | C5 | O32 | 61.3° | 60.0° |
| O31 | C4 | C3 | H4 | 61.2° | 60.0° |
| O31 | C4 | C5 | H6 | 57.4° | 60.0° |
| C4 | C5 | C6 | C7 | 174.8° | 180.0° |
| C4 | C5 | C6 | O32 | 122.5° | 120.0° |
| C4 | C5 | C6 | H6 | 117.2° | 120.0° |
| C4 | C5 | O32 | H6 | 118.0° | 120.0° |
| C5 | C4 | C3 | H4 | 58.6° | 60.0° |
| C4 | C5 | C6 | H7 | 58.0° | 60.0° |
| C5 | C4 | O31 | H36 | 58.9° | 179.9° |
| C4 | C5 | O32 | H37 | 180.0° | 59.9° |
| C7 | C6 | C5 | H7 | 116.8° | 120.0° |
| C6 | C7 | N8 | H8 | 121.4° | 119.9° |
| C6 | C7 | N8 | H9 | 121.5° | 120.0° |
| C7 | C6 | C5 | O32 | 52.3° | 60.0° |
| C6 | C7 | N8 | C12 | 58.2° | 124.7° |
| C6 | C7 | N8 | N9 | 131.3° | 55.0° |
| C7 | C6 | C1 | H1 | 52.6° | 60.0° |
| C7 | C6 | C5 | H6 | 68.0° | 60.0° |
| C6 | C7 | H8 | H9 | 115.3° | 120.0° |
| C5 | C6 | C7 | N8 | 50.0° | 175.0° |
| C6 | C5 | O32 | H6 | 119.7° | 120.0° |
| C5 | C6 | C1 | H1 | 173.8° | 180.0° |
| C6 | C5 | C4 | H5 | 64.5° | 60.0° |
| C5 | C6 | C7 | H8 | 171.4° | 55.0° |
| C5 | C6 | C7 | H9 | 71.5° | 65.0° |
| C6 | C5 | O32 | H37 | 57.7° | 180.0° |
| C21 | C22 | C27 | C18 | 59.8° | 60.0° |
| C21 | C22 | C23 | C27 | 119.8° | 120.0° |
| C21 | C22 | C23 | H24 | 119.5° | 120.0° |
| C21 | C22 | C27 | H24 | 121.0° | 120.0° |
| C22 | C21 | C20 | H21 | 178.6° | 180.0° |
| C22 | C21 | H22 | H23 | 119.9° | 120.0° |
| C21 | C22 | C23 | H25 | 179.1° | 60.0° |
| C21 | C22 | C23 | H26 | 59.4° | 180.0° |
| C21 | C22 | C27 | H32 | 60.3° | 60.0° |
| C21 | C22 | C27 | H33 | 180.0° | 180.0° |
| C18 | C17 | O16 | H17 | 120.3° | 120.0° |
| C18 | C17 | O16 | H18 | 120.2° | 119.9° |
| C17 | C18 | C27 | C22 | 178.4° | 180.0° |
| C18 | C17 | O16 | C15 | 173.0° | 180.0° |
| C18 | C17 | H17 | H18 | 119.3° | 119.9° |
| C17 | C18 | C19 | H19 | 61.4° | 60.0° |
| C17 | C18 | C19 | H20 | 58.3° | 60.0° |
| C17 | C18 | C25 | H28 | 61.0° | 60.0° |
| C17 | C18 | C25 | H29 | 58.6° | 60.0° |
| C17 | C18 | C27 | H32 | 61.5° | 60.0° |
| C17 | C18 | C27 | H33 | 58.3° | 60.0° |
| C27 | C18 | C17 | O16 | 35.5° | 180.0° |
| C18 | C27 | C22 | C23 | 58.4° | 60.0° |
| C18 | C27 | C22 | H32 | 120.1° | 120.0° |
| C18 | C27 | C22 | H33 | 120.1° | 119.9° |
| C27 | C18 | C17 | H17 | 84.8° | 60.0° |
| C27 | C18 | C17 | H18 | 155.7° | 60.0° |
| C27 | C18 | C19 | H19 | 60.2° | 180.0° |
| C27 | C18 | C19 | H20 | 179.9° | 60.0° |
| C18 | C27 | C22 | H24 | 179.1° | 180.0° |
| C27 | C18 | C25 | H28 | 177.1° | 60.0° |
| C27 | C18 | C25 | H29 | 63.4° | 180.0° |
| C18 | C27 | H32 | H33 | 119.6° | 120.0° |
| C17 | O16 | C15 | C14 | 68.1° | 180.0° |
| C17 | O16 | C15 | H15 | 51.4° | 60.0° |
| C17 | O16 | C15 | H16 | 172.4° | 60.0° |
| O16 | C17 | H17 | H18 | 119.2° | 120.1° |
| C23 | C22 | C27 | H24 | 120.7° | 120.0° |
| C23 | C22 | C21 | H22 | 58.7° | 60.0° |
| C23 | C22 | C21 | H23 | 178.7° | 180.0° |
| C22 | C23 | H25 | H26 | 119.5° | 120.0° |
| C22 | C23 | C24 | H27 | 179.4° | 180.0° |
| C23 | C22 | C27 | H32 | 178.6° | 180.0° |
| C23 | C22 | C27 | H33 | 61.7° | 60.0° |
| C7 | N8 | C12 | N9 | 170.4° | 179.8° |
| C7 | N8 | C12 | C11 | 174.4° | 179.9° |
| C7 | N8 | N9 | N10 | 177.5° | 180.0° |
| N8 | C7 | C6 | H7 | 166.9° | 55.0° |
| N8 | C7 | H8 | H9 | 115.3° | 120.0° |
| C7 | N8 | C12 | H10 | 5.6° | 0.0° |
| O32 | C5 | C4 | H5 | 59.6° | 60.0° |
| O32 | C5 | C6 | H7 | 64.5° | 60.0° |
| C27 | C22 | C21 | H22 | 178.3° | 180.0° |
| C27 | C22 | C21 | H23 | 61.7° | 60.0° |
| C27 | C22 | C23 | H25 | 61.1° | 180.0° |
| C27 | C22 | C23 | H26 | 179.3° | 60.0° |
| C22 | C27 | H32 | H33 | 119.6° | 120.0° |
| N8 | C12 | C11 | H10 | 180.0° | 179.8° |
| N8 | C12 | C11 | C13 | 177.9° | 179.9° |
| N8 | C12 | C11 | N10 | 2.5° | 0.3° |
| C12 | N8 | N9 | N10 | 3.9° | 0.2° |
| C12 | N8 | C7 | H8 | 63.2° | 4.8° |
| C12 | N8 | C7 | H9 | 179.7° | 115.3° |
| C11 | C12 | N8 | N9 | 4.0° | 0.4° |
| C12 | C11 | C13 | C14 | 10.9° | 125.3° |
| C12 | C11 | C13 | N10 | 179.5° | 179.8° |
| C12 | C11 | N10 | N9 | 0.1° | 0.2° |
| C12 | C11 | C13 | H11 | 109.5° | 114.7° |
| C12 | C11 | C13 | H12 | 131.2° | 5.3° |
| N8 | N9 | N10 | C11 | 2.3° | 0.0° |
| N9 | N8 | C7 | H8 | 107.2° | 174.9° |
| N9 | N8 | C7 | H9 | 9.9° | 65.0° |
| N9 | N8 | C12 | H10 | 176.0° | 179.8° |
| O16 | C15 | C14 | H15 | 119.5° | 119.9° |
| O16 | C15 | C14 | H16 | 119.5° | 120.1° |
| O16 | C15 | C14 | C13 | 144.4° | 180.0° |
| O16 | C15 | C14 | H13 | 24.2° | 60.1° |
| O16 | C15 | C14 | H14 | 95.5° | 60.0° |
| O16 | C15 | H15 | H16 | 121.5° | 120.0° |
| C15 | O16 | C17 | H17 | 52.7° | 60.0° |
| C15 | O16 | C17 | H18 | 66.8° | 60.0° |
| C15 | C14 | C13 | H13 | 120.2° | 119.9° |
| C15 | C14 | C13 | H14 | 120.2° | 120.0° |
| C15 | C14 | C13 | C11 | 90.0° | 180.0° |
| C15 | C14 | C13 | H11 | 30.4° | 60.0° |
| C15 | C14 | C13 | H12 | 149.7° | 60.0° |
| C15 | C14 | H13 | H14 | 119.6° | 120.0° |
| C14 | C15 | H15 | H16 | 121.4° | 120.0° |
| C14 | C13 | C11 | H11 | 120.4° | 120.0° |
| C14 | C13 | C11 | H12 | 120.3° | 120.0° |
| C14 | C13 | C11 | N10 | 168.6° | 54.9° |
| C14 | C13 | H11 | H12 | 118.9° | 120.0° |
| C13 | C14 | H13 | H14 | 119.5° | 120.0° |
| C13 | C14 | C15 | H15 | 96.2° | 60.0° |
| C13 | C14 | C15 | H16 | 24.8° | 60.0° |
| C13 | C11 | N10 | N9 | 179.7° | 180.0° |
| C13 | C11 | C12 | H10 | 2.0° | 0.0° |
| C11 | C13 | H11 | H12 | 119.0° | 120.0° |
| C11 | C13 | C14 | H13 | 149.8° | 60.0° |
| C11 | C13 | C14 | H14 | 30.2° | 60.0° |
| N10 | C11 | C12 | H10 | 177.5° | 179.8° |
| N10 | C11 | C13 | H11 | 71.1° | 65.1° |
| N10 | C11 | C13 | H12 | 48.3° | 174.9° |
| H1 | C1 | C2 | H2 | 66.4° | 60.1° |
| H1 | C1 | C2 | H3 | 53.3° | 60.0° |
| H1 | C1 | C6 | H7 | 60.0° | 60.0° |
| H1 | C1 | O28 | H34 | 62.5° | 60.0° |
| H2 | C2 | C3 | H4 | 61.5° | 180.0° |
| H3 | C2 | C3 | H4 | 178.7° | 60.0° |
| H4 | C3 | C4 | H5 | 178.6° | 179.9° |
| H4 | C3 | O30 | H35 | 63.5° | 60.0° |
| H5 | C4 | C5 | H6 | 178.2° | 180.0° |
| H5 | C4 | O31 | H36 | 60.9° | 60.0° |
| H6 | C5 | C6 | H7 | 175.2° | NaN° |
| H6 | C5 | O32 | H37 | 62.0° | 60.0° |
| H7 | C6 | C7 | H8 | 71.7° | 65.0° |
| H7 | C6 | C7 | H9 | 45.4° | 175.0° |
| H11 | C13 | C14 | H13 | 89.8° | 180.0° |
| H11 | C13 | C14 | H14 | 150.6° | 60.0° |
| H12 | C13 | C14 | H13 | 29.5° | 59.9° |
| H12 | C13 | C14 | H14 | 90.1° | NaN° |
| H13 | C14 | C15 | H15 | 143.7° | 180.0° |
| H13 | C14 | C15 | H16 | 95.4° | 60.0° |
| H14 | C14 | C15 | H15 | 24.0° | 60.0° |
| H14 | C14 | C15 | H16 | 145.0° | 180.0° |
| H19 | C19 | C20 | H21 | 60.3° | 60.0° |
| H20 | C19 | C20 | H21 | 59.4° | 60.0° |
| H21 | C20 | C21 | H22 | 61.4° | 60.0° |
| H21 | C20 | C21 | H23 | 58.5° | 60.0° |
| H21 | C20 | C26 | H30 | 60.0° | 60.0° |
| H21 | C20 | C26 | H31 | 60.1° | 60.0° |
| H22 | C21 | C22 | H24 | 60.7° | 60.0° |
| H23 | C21 | C22 | H24 | 59.2° | 60.0° |
| H24 | C22 | C23 | H25 | 59.6° | 60.0° |
| H24 | C22 | C23 | H26 | 60.0° | 60.0° |
| H24 | C22 | C27 | H32 | 60.7° | 60.0° |
| H24 | C22 | C27 | H33 | 59.0° | 60.1° |
| H25 | C23 | C24 | H27 | 59.2° | 60.0° |
| H26 | C23 | C24 | H27 | 60.4° | 60.0° |
| H27 | C24 | C25 | H28 | 61.5° | 59.9° |
| H27 | C24 | C25 | H29 | 58.1° | 60.0° |
| H27 | C24 | C26 | H30 | 60.4° | 60.0° |
| H27 | C24 | C26 | H31 | 59.6° | 60.0° |
