FEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O2 | sing | 1.43Å | 1.43Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| O2 | C25 | sing | 1.37Å | 1.49Å | |
| C25 | O3 | doub | 1.22Å | 1.39Å | |
| C25 | C24 | sing | 1.51Å | 1.45Å | |
| C24 | C23 | sing | 1.53Å | 1.35Å | |
| C24 | H241 | sing | 1.10Å | 1.11Å | |
| C24 | H242 | sing | 1.10Å | 1.12Å | |
| C23 | C21 | sing | 1.49Å | 1.30Å | |
| C23 | H231 | sing | 1.10Å | 1.12Å | |
| C23 | H232 | sing | 1.10Å | 1.11Å | |
| C21 | C20 | doub | 1.39Å | 1.45Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.50Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | doub | 1.40Å | 1.47Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.37Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | C22 | doub | 1.37Å | 1.47Å | Aromatic |
| C17 | N2 | sing | 1.45Å | 1.56Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N2 | C15 | sing | 1.47Å | 1.35Å | |
| N2 | C16 | sing | 1.41Å | 1.34Å | |
| C15 | C12 | sing | 1.50Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.10Å | 1.12Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.39Å | 1.47Å | Aromatic |
| C9 | C6 | sing | 1.45Å | 1.21Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.39Å | 1.51Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.44Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C1 | doub | 1.39Å | 1.46Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | C4 | sing | 1.40Å | 1.52Å | Aromatic |
| C1 | N1 | sing | 1.41Å | 1.56Å | |
| C4 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.45Å | 1.48Å | |
| N1 | C3 | sing | 1.45Å | 1.62Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.09Å | 1.12Å | |
| C3 | H31A | sing | 1.09Å | 1.12Å | |
| C3 | H32A | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C16 | O1 | doub | 1.23Å | 0.95Å | |
| C16 | C27 | sing | 1.50Å | 1.57Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | Aromatic |
| C27 | C32 | sing | 1.53Å | 1.61Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.57Å | Aromatic |
| C28 | H28 | sing | 1.10Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | Aromatic |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | Aromatic |
| C30 | H30 | sing | 1.10Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | Aromatic |
| C31 | H31 | sing | 1.10Å | 1.10Å | |
| C32 | H32 | sing | 1.10Å | 1.10Å | |
| HC1 | C27 | sing | 1.10Å | 1.10Å | |
| HC2 | C32 | sing | 1.10Å | 1.10Å | |
| HC3 | C31 | sing | 1.10Å | 1.10Å | |
| HC4 | C30 | sing | 1.10Å | 1.10Å | |
| HC5 | C29 | sing | 1.10Å | 1.10Å | |
| HC6 | C28 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C26 | H261 | 110.0° | 109.5° |
| O2 | C26 | H262 | 115.7° | 109.5° |
| O2 | C26 | H263 | 109.9° | 109.0° |
| C26 | O2 | C25 | 115.7° | 115.5° |
| H261 | C26 | H262 | 110.0° | 110.0° |
| H261 | C26 | H263 | 100.2° | 109.4° |
| H262 | C26 | H263 | 109.9° | 109.4° |
| O2 | C25 | O3 | 116.8° | 125.9° |
| O2 | C25 | C24 | 113.1° | 108.8° |
| O3 | C25 | C24 | 130.0° | 125.2° |
| C25 | C24 | C23 | 122.7° | 112.3° |
| C25 | C24 | H241 | 107.5° | 108.1° |
| C25 | C24 | H242 | 107.5° | 108.2° |
| C23 | C24 | H241 | 107.5° | 109.8° |
| C23 | C24 | H242 | 107.5° | 109.7° |
| C24 | C23 | C21 | 148.0° | 112.6° |
| C24 | C23 | H231 | 99.4° | 109.3° |
| C24 | C23 | H232 | 99.4° | 109.3° |
| H241 | C24 | H242 | 102.3° | 108.6° |
| C21 | C23 | H231 | 99.4° | 110.1° |
| C21 | C23 | H232 | 99.4° | 110.1° |
| C23 | C21 | C20 | 137.7° | 120.0° |
| C23 | C21 | C22 | 102.9° | 120.0° |
| H231 | C23 | H232 | 107.3° | 105.1° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C21 | C20 | C19 | 119.0° | 120.0° |
| C21 | C20 | H20 | 121.6° | 120.5° |
| C21 | C22 | C17 | 121.6° | 118.0° |
| C21 | C22 | H22 | 120.2° | 119.9° |
| C19 | C20 | H20 | 119.4° | 119.5° |
| C20 | C19 | C18 | 121.0° | 119.9° |
| C20 | C19 | H19 | 117.9° | 120.0° |
| C18 | C19 | H19 | 121.1° | 120.0° |
| C19 | C18 | C17 | 123.2° | 118.1° |
| C19 | C18 | H18 | 119.8° | 119.3° |
| C17 | C18 | H18 | 117.0° | 122.6° |
| C18 | C17 | C22 | 115.9° | 123.9° |
| C18 | C17 | N2 | 126.6° | 118.1° |
| C22 | C17 | N2 | 117.5° | 118.0° |
| C17 | C22 | H22 | 118.2° | 122.1° |
| C17 | N2 | C15 | 103.0° | 116.6° |
| C17 | N2 | C16 | 135.2° | 121.3° |
| C15 | N2 | C16 | 121.7° | 121.9° |
| N2 | C15 | C12 | 124.7° | 112.0° |
| N2 | C15 | H151 | 106.8° | 107.9° |
| N2 | C15 | H152 | 106.8° | 107.8° |
| N2 | C16 | O1 | 121.3° | 125.8° |
| N2 | C16 | C27 | 128.9° | 116.3° |
| C12 | C15 | H151 | 106.8° | 110.6° |
| C12 | C15 | H152 | 106.8° | 111.0° |
| C15 | C12 | C13 | 117.1° | 119.7° |
| C15 | C12 | C11 | 124.1° | 119.6° |
| H151 | C15 | H152 | 102.8° | 107.3° |
| C13 | C12 | C11 | 118.8° | 120.7° |
| C12 | C13 | C14 | 121.6° | 119.7° |
| C12 | C13 | H13 | 118.2° | 120.9° |
| C12 | C11 | C10 | 119.6° | 119.6° |
| C12 | C11 | H11 | 121.4° | 120.8° |
| C14 | C13 | H13 | 120.2° | 119.5° |
| C13 | C14 | C9 | 122.5° | 120.0° |
| C13 | C14 | H14 | 118.5° | 119.2° |
| C9 | C14 | H14 | 119.0° | 120.9° |
| C14 | C9 | C10 | 114.6° | 120.0° |
| C14 | C9 | C6 | 132.6° | 120.0° |
| C10 | C9 | C6 | 112.8° | 120.0° |
| C9 | C10 | C11 | 122.9° | 120.0° |
| C9 | C10 | H10 | 121.0° | 120.9° |
| C9 | C6 | C7 | 126.1° | 120.0° |
| C9 | C6 | C5 | 117.4° | 120.0° |
| C11 | C10 | H10 | 116.1° | 119.1° |
| C10 | C11 | H11 | 119.0° | 119.6° |
| C7 | C6 | C5 | 116.4° | 120.0° |
| C6 | C7 | C8 | 121.8° | 120.0° |
| C6 | C7 | H7 | 121.5° | 120.9° |
| C6 | C5 | C4 | 121.7° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.9° |
| C8 | C7 | H7 | 116.7° | 119.1° |
| C7 | C8 | C1 | 121.8° | 120.0° |
| C7 | C8 | H8 | 118.3° | 119.4° |
| C1 | C8 | H8 | 119.8° | 120.6° |
| C8 | C1 | C4 | 116.5° | 120.0° |
| C8 | C1 | N1 | 114.6° | 120.0° |
| C4 | C1 | N1 | 128.9° | 120.0° |
| C1 | C4 | C5 | 121.7° | 120.0° |
| C1 | C4 | H4 | 121.8° | 120.6° |
| C1 | N1 | C2 | 124.8° | 120.4° |
| C1 | N1 | C3 | 104.7° | 120.5° |
| C5 | C4 | H4 | 116.5° | 119.4° |
| C4 | C5 | H5 | 118.1° | 119.1° |
| C2 | N1 | C3 | 130.5° | 119.2° |
| N1 | C2 | H21 | 106.8° | 110.1° |
| N1 | C2 | H22A | 124.8° | 110.3° |
| N1 | C2 | H23 | 106.8° | 110.2° |
| N1 | C3 | H31A | 114.0° | 110.1° |
| N1 | C3 | H32A | 104.8° | 110.2° |
| N1 | C3 | H33 | 114.0° | 110.2° |
| H21 | C2 | H22A | 106.8° | 108.7° |
| H21 | C2 | H23 | 102.9° | 108.8° |
| H22A | C2 | H23 | 106.8° | 108.7° |
| H31A | C3 | H32A | 114.0° | 108.7° |
| H31A | C3 | H33 | 96.4° | 108.8° |
| H32A | C3 | H33 | 114.0° | 108.7° |
| O1 | C16 | C27 | 93.7° | 117.9° |
| C16 | C27 | C28 | 116.0° | 109.9° |
| C16 | C27 | C32 | 111.1° | 109.9° |
| C16 | C27 | HC1 | 103.5° | 106.8° |
| C28 | C27 | C32 | 109.2° | 111.5° |
| C27 | C28 | C29 | 116.2° | 111.7° |
| C27 | C28 | H28 | 121.0° | 110.0° |
| C28 | C27 | HC1 | 105.6° | 109.3° |
| C27 | C28 | HC6 | 137.8° | 110.0° |
| C27 | C32 | C31 | 113.3° | 111.7° |
| C27 | C32 | H32 | 108.2° | 110.0° |
| C32 | C27 | HC1 | 111.2° | 109.3° |
| C27 | C32 | HC2 | 107.4° | 109.9° |
| C29 | C28 | H28 | 122.9° | 109.3° |
| C28 | C29 | C30 | 111.9° | 111.7° |
| C28 | C29 | H29 | 108.7° | 109.7° |
| C28 | C29 | HC5 | 108.1° | 109.3° |
| C29 | C28 | HC6 | 106.0° | 109.5° |
| H28 | C28 | HC6 | 16.9° | 106.3° |
| C30 | C29 | H29 | 108.7° | 109.7° |
| C29 | C30 | C31 | 114.6° | 111.5° |
| C29 | C30 | H30 | 107.8° | 109.4° |
| C29 | C30 | HC4 | 106.6° | 109.7° |
| C30 | C29 | HC5 | 108.1° | 109.4° |
| H29 | C29 | HC5 | 111.4° | 106.9° |
| C31 | C30 | H30 | 107.8° | 109.4° |
| C30 | C31 | C32 | 114.1° | 111.7° |
| C30 | C31 | H31 | 108.0° | 109.4° |
| C30 | C31 | HC3 | 106.9° | 109.6° |
| C31 | C30 | HC4 | 106.6° | 109.7° |
| H30 | C30 | HC4 | 113.6° | 107.0° |
| C32 | C31 | H31 | 108.0° | 109.4° |
| C31 | C32 | H32 | 108.2° | 109.6° |
| C31 | C32 | HC2 | 107.4° | 109.3° |
| C32 | C31 | HC3 | 106.9° | 109.7° |
| H31 | C31 | HC3 | 113.1° | 106.9° |
| H32 | C32 | HC2 | 112.5° | 106.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C26 | H261 | H262 | 128.5° | 120.4° |
| O2 | C26 | H261 | H263 | 115.7° | 119.4° |
| O2 | C26 | H262 | H263 | 125.2° | 119.4° |
| C26 | O2 | C25 | O3 | 0.8° | 0.0° |
| C26 | O2 | C25 | C24 | 180.0° | 179.9° |
| H261 | C26 | H262 | H263 | 109.4° | 120.2° |
| H261 | C26 | O2 | C25 | 54.7° | 172.4° |
| H262 | C26 | O2 | C25 | 180.0° | 66.8° |
| H263 | C26 | O2 | C25 | 54.7° | 52.8° |
| O2 | C25 | O3 | C24 | 179.1° | 179.9° |
| O2 | C25 | C24 | C23 | 155.5° | 178.8° |
| O2 | C25 | C24 | H241 | 30.2° | 59.9° |
| O2 | C25 | C24 | H242 | 79.3° | 57.5° |
| O3 | C25 | C24 | C23 | 23.6° | 1.3° |
| O3 | C25 | C24 | H241 | 148.9° | 120.0° |
| O3 | C25 | C24 | H242 | 101.6° | 122.6° |
| C25 | C24 | C23 | H241 | 125.2° | 120.3° |
| C25 | C24 | C23 | H242 | 125.3° | 120.4° |
| C25 | C24 | H241 | H242 | 113.1° | 117.2° |
| C25 | C24 | C23 | C21 | 134.7° | 179.7° |
| C25 | C24 | C23 | H231 | 9.5° | 57.6° |
| C25 | C24 | C23 | H232 | 100.0° | 56.9° |
| C23 | C24 | H241 | H242 | 113.1° | 120.0° |
| C24 | C23 | C21 | H231 | 125.3° | 122.3° |
| C24 | C23 | C21 | H232 | 125.2° | 122.3° |
| C24 | C23 | H231 | H232 | 103.0° | 117.2° |
| C24 | C23 | C21 | C20 | 127.9° | 90.1° |
| C24 | C23 | C21 | C22 | 51.0° | 89.9° |
| H241 | C24 | C23 | C21 | 100.0° | 60.0° |
| H241 | C24 | C23 | H231 | 134.7° | 62.7° |
| H241 | C24 | C23 | H232 | 25.2° | 177.2° |
| H242 | C24 | C23 | C21 | 9.5° | 59.3° |
| H242 | C24 | C23 | H231 | 115.8° | 178.0° |
| H242 | C24 | C23 | H232 | 134.7° | 63.5° |
| C21 | C23 | H231 | H232 | 103.0° | 118.6° |
| C23 | C21 | C20 | C22 | 178.8° | 180.0° |
| C23 | C21 | C20 | C19 | 178.0° | 180.0° |
| C23 | C21 | C20 | H20 | 2.0° | 0.1° |
| C23 | C21 | C22 | C17 | 178.9° | 179.9° |
| C23 | C21 | C22 | H22 | 1.1° | 0.0° |
| H231 | C23 | C21 | C20 | 2.6° | 32.2° |
| H231 | C23 | C21 | C22 | 176.3° | 147.8° |
| H232 | C23 | C21 | C20 | 106.9° | 147.6° |
| H232 | C23 | C21 | C22 | 74.2° | 32.3° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.6° | 0.0° |
| C21 | C20 | C19 | H19 | 179.4° | 179.9° |
| C20 | C21 | C22 | C17 | 0.3° | 0.1° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 0.7° | 0.0° |
| C22 | C21 | C20 | H20 | 179.3° | 179.9° |
| C21 | C22 | C17 | C18 | 0.3° | 0.1° |
| C21 | C22 | C17 | H22 | 180.0° | 179.9° |
| C21 | C22 | C17 | N2 | 177.9° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| H20 | C20 | C19 | C18 | 179.4° | 180.0° |
| H20 | C20 | C19 | H19 | 0.6° | 0.1° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.4° | 0.1° |
| C19 | C18 | C17 | N2 | 177.6° | 179.9° |
| H19 | C19 | C18 | C17 | 179.9° | 179.9° |
| H19 | C19 | C18 | H18 | 0.1° | 0.1° |
| C18 | C17 | C22 | N2 | 178.2° | 179.9° |
| C18 | C17 | C22 | H22 | 179.7° | 180.0° |
| C18 | C17 | N2 | C15 | 82.1° | 145.7° |
| C18 | C17 | N2 | C16 | 93.7° | 30.0° |
| H18 | C18 | C17 | C22 | 179.6° | 179.9° |
| H18 | C18 | C17 | N2 | 2.4° | 0.1° |
| C22 | C17 | N2 | C15 | 100.0° | 34.2° |
| C22 | C17 | N2 | C16 | 84.2° | 150.1° |
| N2 | C17 | C22 | H22 | 2.1° | 0.2° |
| C17 | N2 | C15 | C16 | 176.5° | 175.6° |
| C17 | N2 | C15 | C12 | 90.3° | 55.6° |
| C17 | N2 | C15 | H151 | 35.0° | 177.6° |
| C17 | N2 | C15 | H152 | 144.5° | 66.8° |
| C17 | N2 | C16 | O1 | 142.3° | 4.6° |
| C17 | N2 | C16 | C27 | 16.2° | 173.6° |
| N2 | C15 | C12 | H151 | 125.3° | 120.4° |
| N2 | C15 | C12 | H152 | 125.3° | 120.5° |
| N2 | C15 | H151 | H152 | 112.3° | 115.9° |
| N2 | C15 | C12 | C13 | 159.1° | 45.0° |
| N2 | C15 | C12 | C11 | 19.4° | 135.0° |
| C15 | N2 | C16 | O1 | 42.5° | 180.0° |
| C15 | N2 | C16 | C27 | 168.6° | 1.8° |
| C16 | N2 | C15 | C12 | 93.2° | 120.0° |
| C16 | N2 | C15 | H151 | 141.5° | 2.0° |
| C16 | N2 | C15 | H152 | 32.1° | 117.6° |
| N2 | C16 | O1 | C27 | 141.0° | 178.1° |
| N2 | C16 | C27 | C28 | 45.7° | 90.2° |
| N2 | C16 | C27 | C32 | 79.7° | 146.8° |
| N2 | C16 | C27 | HC1 | 160.9° | 28.3° |
| C12 | C15 | H151 | H152 | 112.3° | 121.3° |
| C15 | C12 | C13 | C11 | 178.6° | 180.0° |
| C15 | C12 | C13 | C14 | 178.9° | 180.0° |
| C15 | C12 | C13 | H13 | 1.1° | 0.0° |
| C15 | C12 | C11 | C10 | 178.7° | 180.0° |
| C15 | C12 | C11 | H11 | 1.3° | 0.1° |
| H151 | C15 | C12 | C13 | 33.8° | 75.4° |
| H151 | C15 | C12 | C11 | 144.7° | 104.6° |
| H152 | C15 | C12 | C13 | 75.7° | 165.6° |
| H152 | C15 | C12 | C11 | 105.8° | 14.4° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.2° | 0.0° |
| C12 | C13 | C14 | H14 | 179.8° | 179.9° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H11 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C10 | C9 | 0.0° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C13 | C14 | C9 | H14 | 180.0° | 179.9° |
| C13 | C14 | C9 | C10 | 0.0° | 0.1° |
| C13 | C14 | C9 | C6 | 178.1° | 180.0° |
| H13 | C13 | C14 | C9 | 179.8° | 180.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| C14 | C9 | C10 | C6 | 178.5° | 179.9° |
| C14 | C9 | C10 | C11 | 0.1° | 0.1° |
| C14 | C9 | C10 | H10 | 179.9° | 179.9° |
| C14 | C9 | C6 | C7 | 146.7° | 29.9° |
| C14 | C9 | C6 | C5 | 33.7° | 150.0° |
| H14 | C14 | C9 | C10 | 180.0° | 179.9° |
| H14 | C14 | C9 | C6 | 1.9° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C10 | C9 | C6 | C7 | 35.2° | 150.0° |
| C10 | C9 | C6 | C5 | 144.4° | 30.1° |
| C6 | C9 | C10 | C11 | 178.6° | 180.0° |
| C6 | C9 | C10 | H10 | 1.4° | 0.0° |
| C9 | C6 | C7 | C5 | 179.6° | 180.0° |
| C9 | C6 | C7 | C8 | 177.5° | 180.0° |
| C9 | C6 | C7 | H7 | 2.5° | 0.0° |
| C9 | C6 | C5 | C4 | 177.5° | 179.9° |
| C9 | C6 | C5 | H5 | 2.5° | 0.1° |
| H10 | C10 | C11 | H11 | 0.0° | 0.2° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C1 | 1.7° | 0.0° |
| C6 | C7 | C8 | H8 | 178.2° | 180.0° |
| C7 | C6 | C5 | C4 | 2.1° | 0.1° |
| C7 | C6 | C5 | H5 | 177.9° | 179.9° |
| C5 | C6 | C7 | C8 | 2.0° | 0.1° |
| C5 | C6 | C7 | H7 | 178.0° | 180.0° |
| C6 | C5 | C4 | C1 | 1.9° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 178.2° | 180.0° |
| C7 | C8 | C1 | H8 | 180.0° | 180.0° |
| C7 | C8 | C1 | C4 | 1.3° | 0.0° |
| C7 | C8 | C1 | N1 | 178.8° | 180.0° |
| H7 | C7 | C8 | C1 | 178.3° | 180.0° |
| H7 | C7 | C8 | H8 | 1.8° | 0.0° |
| C8 | C1 | C4 | N1 | 177.1° | 180.0° |
| C8 | C1 | C4 | C5 | 1.4° | 0.0° |
| C8 | C1 | C4 | H4 | 178.7° | 180.0° |
| C8 | C1 | N1 | C2 | 1.5° | 30.0° |
| C8 | C1 | N1 | C3 | 177.3° | 150.7° |
| H8 | C8 | C1 | C4 | 178.7° | 180.0° |
| H8 | C8 | C1 | N1 | 1.1° | 0.1° |
| C1 | C4 | C5 | H4 | 180.0° | 179.9° |
| C1 | C4 | C5 | H5 | 178.1° | 179.9° |
| C4 | C1 | N1 | C2 | 178.7° | 150.0° |
| C4 | C1 | N1 | C3 | 0.1° | 29.3° |
| N1 | C1 | C4 | C5 | 178.5° | 179.9° |
| N1 | C1 | C4 | H4 | 1.5° | 0.0° |
| C1 | N1 | C2 | C3 | 178.5° | 179.4° |
| C1 | N1 | C2 | H21 | 54.8° | 152.8° |
| C1 | N1 | C2 | H22A | 180.0° | 32.9° |
| C1 | N1 | C2 | H23 | 54.7° | 87.2° |
| C1 | N1 | C3 | H31A | 54.7° | 103.3° |
| C1 | N1 | C3 | H32A | 180.0° | 16.7° |
| C1 | N1 | C3 | H33 | 54.7° | 136.7° |
| H4 | C4 | C5 | H5 | 1.9° | 0.2° |
| N1 | C2 | H21 | H22A | 135.5° | 120.9° |
| N1 | C2 | H21 | H23 | 112.2° | 120.9° |
| N1 | C2 | H22A | H23 | 125.2° | 120.9° |
| C2 | N1 | C3 | H31A | 124.0° | 77.4° |
| C2 | N1 | C3 | H32A | 1.2° | 162.7° |
| C2 | N1 | C3 | H33 | 126.5° | 42.6° |
| C3 | N1 | C2 | H21 | 126.7° | 26.6° |
| C3 | N1 | C2 | H22A | 1.5° | 146.5° |
| C3 | N1 | C2 | H23 | 123.8° | 93.5° |
| N1 | C3 | H31A | H32A | 120.2° | 120.8° |
| N1 | C3 | H31A | H33 | 119.9° | 120.9° |
| N1 | C3 | H32A | H33 | 125.3° | 121.0° |
| H21 | C2 | H22A | H23 | 109.5° | 118.3° |
| H31A | C3 | H32A | H33 | 109.4° | 118.3° |
| O1 | C16 | C27 | C28 | 90.5° | 91.5° |
| O1 | C16 | C27 | C32 | 144.0° | 31.5° |
| O1 | C16 | C27 | HC1 | 24.7° | 150.0° |
| C16 | C27 | C28 | C32 | 126.4° | 122.1° |
| C16 | C27 | C28 | HC1 | 114.0° | 116.9° |
| C16 | C27 | C32 | HC1 | 114.7° | 116.9° |
| C16 | C27 | C28 | C29 | 179.9° | 176.1° |
| C16 | C27 | C28 | H28 | 0.1° | 54.6° |
| C16 | C27 | C32 | C31 | 180.0° | 176.1° |
| C16 | C27 | C32 | H32 | 60.0° | 62.0° |
| C16 | C27 | C32 | HC2 | 61.6° | 54.6° |
| C16 | C27 | C28 | HC6 | 0.2° | 62.1° |
| C28 | C27 | C32 | HC1 | 116.1° | 121.0° |
| C27 | C28 | C29 | H28 | 180.0° | 121.9° |
| C27 | C28 | C29 | HC6 | 179.9° | 122.0° |
| C27 | C28 | H28 | HC6 | 179.8° | 119.0° |
| C27 | C28 | C29 | C30 | 6.3° | 54.4° |
| C27 | C28 | C29 | H29 | 113.7° | 176.2° |
| C28 | C27 | C32 | C31 | 50.8° | 54.0° |
| C28 | C27 | C32 | H32 | 69.2° | 175.9° |
| C28 | C27 | C32 | HC2 | 169.2° | 67.5° |
| C27 | C28 | C29 | HC5 | 125.3° | 66.8° |
| C32 | C27 | C28 | C29 | 53.4° | 54.1° |
| C32 | C27 | C28 | H28 | 126.6° | 67.5° |
| C27 | C32 | C31 | C30 | 2.6° | 54.4° |
| C27 | C32 | C31 | H32 | 120.0° | 122.1° |
| C27 | C32 | C31 | HC2 | 118.3° | 121.8° |
| C27 | C32 | C31 | H31 | 117.4° | 67.0° |
| C27 | C32 | H32 | HC2 | 118.4° | 118.9° |
| C27 | C32 | C31 | HC3 | 120.5° | 176.1° |
| C32 | C27 | C28 | HC6 | 126.6° | 175.8° |
| C29 | C28 | H28 | HC6 | 0.2° | 118.1° |
| C28 | C29 | C30 | H29 | 120.0° | 121.8° |
| C28 | C29 | C30 | HC5 | 118.9° | 121.2° |
| C28 | C29 | H29 | HC5 | 119.0° | 118.5° |
| C28 | C29 | C30 | C31 | 44.9° | 54.5° |
| C28 | C29 | C30 | H30 | 75.1° | 66.7° |
| C29 | C28 | C27 | HC1 | 66.2° | 66.9° |
| C28 | C29 | C30 | HC4 | 162.6° | 176.2° |
| H28 | C28 | C29 | C30 | 173.7° | 67.5° |
| H28 | C28 | C29 | H29 | 66.3° | 54.3° |
| H28 | C28 | C27 | HC1 | 113.8° | 171.5° |
| H28 | C28 | C29 | HC5 | 54.7° | 171.2° |
| C30 | C29 | H29 | HC5 | 119.0° | 118.5° |
| C29 | C30 | C31 | H30 | 120.0° | 121.2° |
| C29 | C30 | C31 | HC4 | 117.7° | 121.7° |
| C29 | C30 | H30 | HC4 | 117.9° | 118.7° |
| C29 | C30 | C31 | C32 | 46.7° | 54.5° |
| C29 | C30 | C31 | H31 | 166.7° | 66.8° |
| C29 | C30 | C31 | HC3 | 71.2° | 176.3° |
| C30 | C29 | C28 | HC6 | 173.7° | 176.4° |
| H29 | C29 | C30 | C31 | 164.9° | 176.3° |
| H29 | C29 | C30 | H30 | 44.9° | 55.1° |
| H29 | C29 | C30 | HC4 | 77.4° | 62.0° |
| H29 | C29 | C28 | HC6 | 66.2° | 61.8° |
| C31 | C30 | H30 | HC4 | 117.9° | 118.8° |
| C30 | C31 | C32 | H31 | 120.0° | 121.3° |
| C30 | C31 | C32 | HC3 | 118.0° | 121.7° |
| C30 | C31 | H31 | HC3 | 118.1° | 118.6° |
| C30 | C31 | C32 | H32 | 117.4° | 176.5° |
| C30 | C31 | C32 | HC2 | 120.9° | 67.5° |
| C31 | C30 | C29 | HC5 | 74.1° | 66.7° |
| H30 | C30 | C31 | C32 | 73.3° | 66.7° |
| H30 | C30 | C31 | H31 | 46.7° | 172.0° |
| H30 | C30 | C31 | HC3 | 168.8° | 55.1° |
| H30 | C30 | C29 | HC5 | 165.9° | 172.1° |
| C32 | C31 | H31 | HC3 | 118.1° | 118.7° |
| C31 | C32 | H32 | HC2 | 118.5° | 118.0° |
| C31 | C32 | C27 | HC1 | 65.3° | 66.9° |
| C32 | C31 | C30 | HC4 | 164.4° | 176.2° |
| H31 | C31 | C32 | H32 | 122.6° | 55.1° |
| H31 | C31 | C32 | HC2 | 0.9° | 171.2° |
| H31 | C31 | C30 | HC4 | 75.6° | 54.9° |
| H32 | C32 | C27 | HC1 | 174.7° | 54.9° |
| H32 | C32 | C31 | HC3 | 0.5° | 61.8° |
| HC1 | C27 | C32 | HC2 | 53.0° | 171.6° |
| HC1 | C27 | C28 | HC6 | 113.8° | 54.8° |
| HC2 | C32 | C31 | HC3 | 121.1° | 54.3° |
| HC3 | C31 | C30 | HC4 | 46.5° | 62.0° |
| HC4 | C30 | C29 | HC5 | 43.6° | 55.0° |
| HC5 | C29 | C28 | HC6 | 54.8° | 55.2° |
