XJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| O10 | C11 | doub | 1.21Å | 1.18Å | |
| C11 | O9 | sing | 1.34Å | 1.41Å | |
| C7 | O8 | doub | 1.21Å | 1.17Å | |
| C7 | O7 | sing | 1.34Å | 1.39Å | |
| O9 | C5 | sing | 1.45Å | 1.39Å | |
| O7 | C6 | sing | 1.45Å | 1.39Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O6 | sing | 1.43Å | 1.39Å | |
| O5 | P | doub | 1.48Å | 1.49Å | |
| O6 | P | sing | 1.61Å | 1.64Å | |
| P | O3 | sing | 1.61Å | 1.63Å | |
| P | O4 | sing | 1.61Å | 1.49Å | |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| O11 | C24 | sing | 1.43Å | 1.39Å | |
| C3 | C24 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C25 | O12 | sing | 1.43Å | 1.40Å | |
| C25 | C | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C | O | sing | 1.43Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| O11 | H4 | sing | 0.97Å | 0.95Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| O | H21 | sing | 0.97Å | 0.95Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H40 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å | |
| O12 | H47 | sing | 0.97Å | 0.95Å | |
| O2 | H48 | sing | 0.97Å | 0.95Å | |
| O4 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 112.9° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.5° | 109.4° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| C23 | C22 | H33 | 108.6° | 109.5° |
| C23 | C22 | H34 | 108.6° | 109.4° |
| C22 | C21 | C20 | 112.2° | 109.5° |
| C22 | C21 | H13 | 108.8° | 109.5° |
| C22 | C21 | H14 | 108.8° | 109.5° |
| C21 | C22 | H33 | 108.6° | 109.4° |
| C21 | C22 | H34 | 108.6° | 109.5° |
| C21 | C20 | C19 | 112.9° | 109.5° |
| C21 | C20 | H11 | 108.6° | 109.4° |
| C21 | C20 | H12 | 108.6° | 109.4° |
| C20 | C21 | H13 | 108.8° | 109.5° |
| C20 | C21 | H14 | 108.8° | 109.4° |
| C20 | C19 | C18 | 110.5° | 109.5° |
| C20 | C19 | H9 | 109.2° | 109.5° |
| C20 | C19 | H10 | 109.2° | 109.5° |
| C19 | C20 | H11 | 108.6° | 109.5° |
| C19 | C20 | H12 | 108.6° | 109.5° |
| C19 | C18 | C17 | 114.3° | 109.5° |
| C18 | C19 | H9 | 109.2° | 109.5° |
| C18 | C19 | H10 | 109.2° | 109.5° |
| C19 | C18 | H30 | 108.2° | 109.5° |
| C19 | C18 | H31 | 108.2° | 109.5° |
| C18 | C17 | C16 | 112.7° | 109.5° |
| C18 | C17 | H7 | 108.6° | 109.5° |
| C18 | C17 | H8 | 108.6° | 109.5° |
| C17 | C18 | H30 | 108.2° | 109.4° |
| C17 | C18 | H31 | 108.3° | 109.4° |
| C17 | C16 | C15 | 112.2° | 109.5° |
| C17 | C16 | H5 | 108.8° | 109.4° |
| C17 | C16 | H6 | 108.8° | 109.5° |
| C16 | C17 | H7 | 108.7° | 109.5° |
| C16 | C17 | H8 | 108.6° | 109.4° |
| C16 | C15 | C14 | 114.2° | 109.5° |
| C15 | C16 | H5 | 108.8° | 109.5° |
| C15 | C16 | H6 | 108.8° | 109.4° |
| C16 | C15 | H28 | 108.3° | 109.5° |
| C16 | C15 | H29 | 108.3° | 109.5° |
| C15 | C14 | C13 | 111.7° | 109.5° |
| C15 | C14 | H26 | 108.9° | 109.4° |
| C15 | C14 | H27 | 108.9° | 109.4° |
| C14 | C15 | H28 | 108.3° | 109.4° |
| C14 | C15 | H29 | 108.3° | 109.5° |
| C14 | C13 | C12 | 113.1° | 109.5° |
| C14 | C13 | H24 | 108.5° | 109.5° |
| C14 | C13 | H25 | 108.6° | 109.5° |
| C13 | C14 | H26 | 108.9° | 109.5° |
| C13 | C14 | H27 | 108.9° | 109.5° |
| C13 | C12 | C11 | 112.5° | 109.5° |
| C13 | C12 | H22 | 108.7° | 109.5° |
| C13 | C12 | H23 | 108.7° | 109.5° |
| C12 | C13 | H24 | 108.6° | 109.5° |
| C12 | C13 | H25 | 108.5° | 109.5° |
| C10 | C9 | C8 | 112.5° | 109.5° |
| C9 | C10 | H1 | 109.5° | 109.5° |
| C9 | C10 | H2 | 109.5° | 109.5° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C10 | C9 | H44 | 108.7° | 109.5° |
| C10 | C9 | H45 | 108.7° | 109.4° |
| C9 | C8 | C7 | 111.0° | 109.5° |
| C9 | C8 | H42 | 109.1° | 109.5° |
| C9 | C8 | H43 | 109.1° | 109.5° |
| C8 | C9 | H44 | 108.7° | 109.5° |
| C8 | C9 | H45 | 108.7° | 109.5° |
| C12 | C11 | O10 | 116.4° | 120.0° |
| C12 | C11 | O9 | 124.4° | 120.0° |
| C11 | C12 | H22 | 108.7° | 109.4° |
| C11 | C12 | H23 | 108.7° | 109.4° |
| C8 | C7 | O8 | 118.9° | 120.0° |
| C8 | C7 | O7 | 121.3° | 120.0° |
| C7 | C8 | H42 | 109.1° | 109.4° |
| C7 | C8 | H43 | 109.1° | 109.4° |
| O10 | C11 | O9 | 119.2° | 120.0° |
| C11 | O9 | C5 | 119.6° | 117.0° |
| O8 | C7 | O7 | 119.8° | 120.0° |
| C7 | O7 | C6 | 112.4° | 117.0° |
| O9 | C5 | C6 | 108.1° | 109.5° |
| O9 | C5 | C4 | 112.6° | 109.5° |
| O9 | C5 | H39 | 111.2° | 109.4° |
| O7 | C6 | C5 | 108.3° | 109.5° |
| O7 | C6 | H40 | 109.8° | 109.4° |
| O7 | C6 | H41 | 109.7° | 109.5° |
| C6 | C5 | C4 | 106.2° | 109.5° |
| C6 | C5 | H39 | 109.3° | 109.5° |
| C5 | C6 | H40 | 109.8° | 109.5° |
| C5 | C6 | H41 | 109.8° | 109.5° |
| C5 | C4 | O6 | 111.4° | 109.4° |
| C5 | C4 | H37 | 109.0° | 109.5° |
| C5 | C4 | H38 | 109.0° | 109.5° |
| C4 | C5 | H39 | 109.2° | 109.5° |
| C4 | O6 | P | 120.5° | 123.0° |
| O6 | C4 | H37 | 109.0° | 109.5° |
| O6 | C4 | H38 | 109.0° | 109.4° |
| O5 | P | O6 | 109.7° | 109.5° |
| O5 | P | O3 | 109.5° | 109.5° |
| O5 | P | O4 | 108.7° | 109.4° |
| O6 | P | O3 | 111.3° | 109.5° |
| O6 | P | O4 | 110.1° | 109.5° |
| O3 | P | O4 | 107.5° | 109.5° |
| P | O3 | C3 | 120.7° | 123.0° |
| P | O4 | H49 | 109.5° | 113.9° |
| O3 | C3 | C24 | 109.8° | 109.4° |
| O3 | C3 | C2 | 110.6° | 109.5° |
| O3 | C3 | H36 | 111.1° | 109.5° |
| O11 | C24 | C3 | 109.1° | 109.5° |
| O11 | C24 | C25 | 107.3° | 109.5° |
| C24 | O11 | H4 | 109.5° | 114.0° |
| O11 | C24 | H35 | 110.8° | 109.5° |
| C24 | C3 | C2 | 106.3° | 109.5° |
| C3 | C24 | C25 | 111.8° | 109.4° |
| C3 | C24 | H35 | 109.0° | 109.5° |
| C24 | C3 | H36 | 109.4° | 109.5° |
| C3 | C2 | O2 | 110.0° | 109.5° |
| C3 | C2 | C1 | 109.9° | 109.4° |
| C3 | C2 | H32 | 108.7° | 109.5° |
| C2 | C3 | H36 | 109.5° | 109.5° |
| C24 | C25 | O12 | 107.7° | 109.5° |
| C24 | C25 | C | 114.9° | 109.5° |
| C24 | C25 | H18 | 108.8° | 109.5° |
| C25 | C24 | H35 | 109.0° | 109.5° |
| O2 | C2 | C1 | 109.0° | 109.5° |
| O2 | C2 | H32 | 110.5° | 109.5° |
| C2 | O2 | H48 | 109.5° | 114.0° |
| C2 | C1 | C | 114.4° | 109.5° |
| C2 | C1 | O1 | 106.9° | 109.5° |
| C2 | C1 | H19 | 108.8° | 109.4° |
| C1 | C2 | H32 | 108.6° | 109.4° |
| O12 | C25 | C | 106.3° | 109.4° |
| O12 | C25 | H18 | 110.5° | 109.5° |
| C25 | O12 | H47 | 109.5° | 114.0° |
| C25 | C | C1 | 115.9° | 109.4° |
| C25 | C | O | 106.9° | 109.4° |
| C | C25 | H18 | 108.6° | 109.4° |
| C25 | C | H20 | 107.9° | 109.5° |
| C | C1 | O1 | 107.7° | 109.5° |
| C1 | C | O | 108.4° | 109.4° |
| C | C1 | H19 | 108.6° | 109.5° |
| C1 | C | H20 | 107.9° | 109.5° |
| O1 | C1 | H19 | 110.4° | 109.5° |
| C1 | O1 | H46 | 109.5° | 114.0° |
| O | C | H20 | 109.8° | 109.5° |
| C | O | H21 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H9 | C19 | H10 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.4° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H17 | 109.4° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.4° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H28 | C15 | H29 | 109.4° | 109.4° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H37 | C4 | H38 | 109.5° | 109.5° |
| H40 | C6 | H41 | 109.5° | 109.5° |
| H42 | C8 | H43 | 109.4° | 109.6° |
| H44 | C9 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H33 | 120.5° | 120.0° |
| C23 | C22 | C21 | H34 | 120.5° | 120.0° |
| C23 | C22 | C21 | C20 | 176.8° | NaN° |
| C23 | C22 | C21 | H13 | 56.3° | 59.9° |
| C23 | C22 | C21 | H14 | 62.8° | 60.0° |
| C22 | C23 | H15 | H16 | 120.0° | 119.9° |
| C22 | C23 | H15 | H17 | 120.0° | 120.0° |
| C22 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C22 | H33 | H34 | 118.5° | 120.0° |
| C22 | C21 | C20 | H13 | 120.4° | 120.1° |
| C22 | C21 | C20 | H14 | 120.4° | 120.0° |
| C22 | C21 | C20 | C19 | 179.4° | NaN° |
| C22 | C21 | C20 | H11 | 58.8° | 60.0° |
| C22 | C21 | C20 | H12 | 60.1° | 60.0° |
| C22 | C21 | H13 | H14 | 118.7° | 120.0° |
| C21 | C22 | C23 | H15 | 180.0° | 59.9° |
| C21 | C22 | C23 | H16 | 60.0° | 60.0° |
| C21 | C22 | C23 | H17 | 60.0° | 180.0° |
| C21 | C22 | H33 | H34 | 118.4° | 120.0° |
| C21 | C20 | C19 | H11 | 120.5° | 120.0° |
| C21 | C20 | C19 | H12 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 167.2° | 180.0° |
| C21 | C20 | C19 | H9 | 72.7° | 60.0° |
| C21 | C20 | C19 | H10 | 47.0° | 59.9° |
| C21 | C20 | H11 | H12 | 118.4° | 120.0° |
| C20 | C21 | H13 | H14 | 118.7° | 119.9° |
| C20 | C21 | C22 | H33 | 62.7° | 60.0° |
| C20 | C21 | C22 | H34 | 56.3° | 60.0° |
| C20 | C19 | C18 | H9 | 120.1° | 120.0° |
| C20 | C19 | C18 | H10 | 120.2° | 120.1° |
| C20 | C19 | C18 | C17 | 164.5° | NaN° |
| C20 | C19 | H9 | H10 | 119.5° | 120.0° |
| C19 | C20 | H11 | H12 | 118.4° | 120.0° |
| C19 | C20 | C21 | H13 | 60.2° | 59.9° |
| C19 | C20 | C21 | H14 | 59.0° | 60.0° |
| C20 | C19 | C18 | H30 | 74.8° | 60.0° |
| C20 | C19 | C18 | H31 | 43.8° | 60.1° |
| C19 | C18 | C17 | H30 | 120.7° | 120.0° |
| C19 | C18 | C17 | H31 | 120.7° | 120.0° |
| C19 | C18 | C17 | C16 | 176.0° | 180.0° |
| C19 | C18 | C17 | H7 | 55.5° | 60.0° |
| C19 | C18 | C17 | H8 | 63.5° | 60.0° |
| C18 | C19 | H9 | H10 | 119.5° | 120.0° |
| C18 | C19 | C20 | H11 | 46.6° | 60.0° |
| C18 | C19 | C20 | H12 | 72.3° | 60.0° |
| C19 | C18 | H30 | H31 | 117.8° | 120.1° |
| C18 | C17 | C16 | H7 | 120.5° | 120.1° |
| C18 | C17 | C16 | H8 | 120.5° | 120.0° |
| C18 | C17 | C16 | C15 | 51.4° | NaN° |
| C18 | C17 | C16 | H5 | 69.0° | 60.0° |
| C18 | C17 | C16 | H6 | 171.8° | 60.0° |
| C18 | C17 | H7 | H8 | 118.5° | 120.0° |
| C17 | C18 | C19 | H9 | 44.3° | 60.0° |
| C17 | C18 | C19 | H10 | 75.4° | 59.9° |
| C17 | C18 | H30 | H31 | 117.8° | 120.0° |
| C17 | C16 | C15 | H5 | 120.4° | 119.9° |
| C17 | C16 | C15 | H6 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 159.4° | 180.0° |
| C17 | C16 | H5 | H6 | 118.7° | 120.0° |
| C16 | C17 | H7 | H8 | 118.5° | 119.9° |
| C17 | C16 | C15 | H28 | 38.7° | 60.0° |
| C17 | C16 | C15 | H29 | 79.9° | 59.9° |
| C16 | C17 | C18 | H30 | 63.3° | 60.0° |
| C16 | C17 | C18 | H31 | 55.3° | 60.0° |
| C16 | C15 | C14 | H28 | 120.7° | 120.0° |
| C16 | C15 | C14 | H29 | 120.7° | 120.1° |
| C16 | C15 | C14 | C13 | 161.5° | 180.0° |
| C15 | C16 | H5 | H6 | 118.7° | 120.0° |
| C15 | C16 | C17 | H7 | 171.9° | 59.9° |
| C15 | C16 | C17 | H8 | 69.0° | 60.0° |
| C16 | C15 | C14 | H26 | 78.2° | 60.0° |
| C16 | C15 | C14 | H27 | 41.1° | 60.0° |
| C16 | C15 | H28 | H29 | 117.9° | 120.0° |
| C15 | C14 | C13 | H26 | 120.3° | 120.0° |
| C15 | C14 | C13 | H27 | 120.3° | 119.9° |
| C15 | C14 | C13 | C12 | 161.0° | 180.0° |
| C14 | C15 | C16 | H5 | 80.2° | 60.1° |
| C14 | C15 | C16 | H6 | 39.0° | 60.0° |
| C15 | C14 | C13 | H24 | 40.4° | 59.9° |
| C15 | C14 | C13 | H25 | 78.5° | 60.0° |
| C15 | C14 | H26 | H27 | 119.0° | 120.0° |
| C14 | C15 | H28 | H29 | 117.8° | 120.0° |
| C14 | C13 | C12 | H24 | 120.5° | 120.1° |
| C14 | C13 | C12 | H25 | 120.6° | 120.0° |
| C14 | C13 | C12 | C11 | 126.5° | 180.0° |
| C14 | C13 | C12 | H22 | 113.0° | 60.0° |
| C14 | C13 | C12 | H23 | 6.0° | 60.1° |
| C14 | C13 | H24 | H25 | 118.4° | 120.0° |
| C13 | C14 | H26 | H27 | 119.0° | 120.0° |
| C13 | C14 | C15 | H28 | 40.7° | 60.0° |
| C13 | C14 | C15 | H29 | 77.8° | 59.9° |
| C13 | C12 | C11 | H22 | 120.5° | 120.0° |
| C13 | C12 | C11 | H23 | 120.5° | 120.0° |
| C13 | C12 | C11 | O10 | 73.0° | 0.0° |
| C13 | C12 | C11 | O9 | 105.3° | 180.0° |
| C13 | C12 | H22 | H23 | 118.6° | 120.1° |
| C12 | C13 | H24 | H25 | 118.3° | 120.0° |
| C12 | C13 | C14 | H26 | 78.7° | 60.0° |
| C12 | C13 | C14 | H27 | 40.6° | 60.1° |
| C10 | C9 | C8 | H44 | 120.5° | 120.0° |
| C10 | C9 | C8 | H45 | 120.5° | 120.0° |
| C10 | C9 | C8 | C7 | 174.7° | 180.0° |
| C9 | C10 | H1 | H2 | 120.0° | 120.1° |
| C9 | C10 | H1 | H3 | 120.0° | 120.1° |
| C9 | C10 | H2 | H3 | 120.0° | 120.1° |
| C10 | C9 | C8 | H42 | 54.5° | 60.1° |
| C10 | C9 | C8 | H43 | 65.1° | 60.0° |
| C10 | C9 | H44 | H45 | 118.6° | 119.9° |
| C9 | C8 | C7 | H42 | 120.3° | 120.0° |
| C9 | C8 | C7 | H43 | 120.2° | 120.0° |
| C9 | C8 | C7 | O8 | 15.7° | 0.0° |
| C9 | C8 | C7 | O7 | 164.2° | 180.0° |
| C8 | C9 | C10 | H1 | 180.0° | 60.0° |
| C8 | C9 | C10 | H2 | 60.0° | 60.0° |
| C8 | C9 | C10 | H3 | 60.0° | 180.0° |
| C9 | C8 | H42 | H43 | 119.3° | 120.1° |
| C8 | C9 | H44 | H45 | 118.6° | 120.0° |
| C12 | C11 | O10 | O9 | 178.3° | 180.0° |
| C12 | C11 | O9 | C5 | 38.2° | 180.0° |
| C11 | C12 | H22 | H23 | 118.6° | 119.9° |
| C11 | C12 | C13 | H24 | 6.0° | 59.9° |
| C11 | C12 | C13 | H25 | 113.0° | 60.0° |
| C8 | C7 | O8 | O7 | 179.8° | 180.0° |
| C8 | C7 | O7 | C6 | 124.6° | 180.0° |
| C7 | C8 | H42 | H43 | 119.3° | 120.0° |
| C7 | C8 | C9 | H44 | 64.8° | 60.0° |
| C7 | C8 | C9 | H45 | 54.3° | 60.0° |
| O10 | C11 | O9 | C5 | 143.6° | 0.0° |
| O10 | C11 | C12 | H22 | 47.5° | 120.0° |
| O10 | C11 | C12 | H23 | 166.6° | 120.0° |
| C11 | O9 | C5 | C6 | 93.5° | 89.9° |
| C11 | O9 | C5 | C4 | 149.6° | 150.0° |
| O9 | C11 | C12 | H22 | 134.3° | 60.0° |
| O9 | C11 | C12 | H23 | 15.2° | 60.0° |
| C11 | O9 | C5 | H39 | 26.5° | 30.0° |
| O8 | C7 | O7 | C6 | 55.6° | 0.0° |
| O8 | C7 | C8 | H42 | 135.9° | 120.0° |
| O8 | C7 | C8 | H43 | 104.5° | 120.0° |
| C7 | O7 | C6 | C5 | 172.7° | 180.0° |
| C7 | O7 | C6 | H40 | 52.8° | 60.0° |
| C7 | O7 | C6 | H41 | 67.5° | 60.0° |
| O7 | C7 | C8 | H42 | 43.9° | 60.0° |
| O7 | C7 | C8 | H43 | 75.6° | 60.0° |
| O9 | C5 | C6 | O7 | 68.2° | 65.0° |
| O9 | C5 | C6 | C4 | 121.1° | 120.0° |
| O9 | C5 | C6 | H39 | 121.2° | 119.9° |
| O9 | C5 | C4 | H39 | 124.1° | 120.0° |
| O9 | C5 | C4 | O6 | 70.3° | 65.0° |
| O9 | C5 | C4 | H37 | 169.4° | 55.0° |
| O9 | C5 | C4 | H38 | 50.0° | 175.0° |
| O9 | C5 | C6 | H40 | 51.7° | 175.0° |
| O9 | C5 | C6 | H41 | 172.0° | 55.0° |
| O7 | C6 | C5 | H40 | 119.8° | 120.0° |
| O7 | C6 | C5 | H41 | 119.8° | 120.0° |
| O7 | C6 | C5 | C4 | 52.9° | 55.0° |
| O7 | C6 | C5 | H39 | 170.7° | 175.0° |
| O7 | C6 | H40 | H41 | 120.5° | 120.0° |
| C6 | C5 | C4 | H39 | 117.8° | 120.0° |
| C6 | C5 | C4 | O6 | 171.6° | 55.0° |
| C6 | C5 | C4 | H37 | 51.4° | 175.0° |
| C6 | C5 | C4 | H38 | 68.1° | 64.9° |
| C5 | C6 | H40 | H41 | 120.5° | 120.0° |
| C5 | C4 | O6 | H37 | 120.3° | 120.0° |
| C5 | C4 | O6 | H38 | 120.3° | 120.0° |
| C5 | C4 | O6 | P | 143.0° | 180.0° |
| C5 | C4 | H37 | H38 | 119.1° | 120.1° |
| C4 | C5 | C6 | H40 | 172.8° | 65.0° |
| C4 | C5 | C6 | H41 | 66.9° | 175.0° |
| C4 | O6 | P | O5 | 78.0° | 55.0° |
| C4 | O6 | P | O3 | 43.3° | 175.0° |
| C4 | O6 | P | O4 | 162.4° | 65.0° |
| O6 | C4 | H37 | H38 | 119.1° | 120.0° |
| O6 | C4 | C5 | H39 | 53.8° | 175.0° |
| O5 | P | O6 | O3 | 121.3° | 120.0° |
| O5 | P | O6 | O4 | 119.6° | 119.9° |
| O5 | P | O3 | O4 | 117.9° | 120.0° |
| O5 | P | O3 | C3 | 146.9° | 55.0° |
| O5 | P | O4 | H49 | 0.0° | 180.0° |
| O6 | P | O3 | O4 | 120.7° | 120.0° |
| O6 | P | O3 | C3 | 91.6° | 175.0° |
| P | O6 | C4 | H37 | 96.7° | 60.0° |
| P | O6 | C4 | H38 | 22.7° | 60.0° |
| O6 | P | O4 | H49 | 120.2° | 60.0° |
| P | O3 | C3 | C24 | 164.2° | 120.0° |
| P | O3 | C3 | C2 | 78.8° | 120.0° |
| P | O3 | C3 | H36 | 43.0° | 0.1° |
| O3 | P | O4 | H49 | 118.4° | 60.0° |
| O4 | P | O3 | C3 | 29.1° | 65.0° |
| O3 | C3 | C24 | O11 | 57.3° | 60.0° |
| O3 | C3 | C24 | C2 | 119.6° | 120.0° |
| O3 | C3 | C24 | H36 | 122.2° | 120.0° |
| O3 | C3 | C2 | H36 | 122.7° | 120.0° |
| O3 | C3 | C24 | C25 | 175.8° | 180.0° |
| O3 | C3 | C2 | O2 | 53.7° | 60.0° |
| O3 | C3 | C2 | C1 | 173.8° | 180.0° |
| O3 | C3 | C2 | H32 | 67.4° | 60.0° |
| O3 | C3 | C24 | H35 | 63.7° | 60.0° |
| O11 | C24 | C3 | C25 | 118.4° | 120.0° |
| O11 | C24 | C3 | H35 | 121.1° | 120.0° |
| O11 | C24 | C3 | C2 | 177.0° | 180.0° |
| O11 | C24 | C25 | H35 | 120.0° | 120.1° |
| O11 | C24 | C25 | O12 | 75.5° | 60.0° |
| O11 | C24 | C25 | C | 166.3° | 180.0° |
| O11 | C24 | C25 | H18 | 44.3° | 60.0° |
| O11 | C24 | C3 | H36 | 64.9° | 60.0° |
| C24 | C3 | C2 | H36 | 118.1° | 120.0° |
| C3 | C24 | C25 | H35 | 120.5° | 120.0° |
| C24 | C3 | C2 | O2 | 172.9° | 180.0° |
| C24 | C3 | C2 | C1 | 67.0° | 60.0° |
| C3 | C24 | C25 | O12 | 165.0° | 180.0° |
| C3 | C24 | C25 | C | 46.7° | 60.0° |
| C3 | C24 | O11 | H4 | 180.0° | 180.0° |
| C3 | C24 | C25 | H18 | 75.3° | 60.0° |
| C24 | C3 | C2 | H32 | 51.8° | 59.9° |
| C2 | C3 | C24 | C25 | 64.6° | 60.0° |
| C3 | C2 | O2 | C1 | 120.6° | 120.0° |
| C3 | C2 | O2 | H32 | 120.1° | 120.1° |
| C3 | C2 | C1 | H32 | 118.9° | 120.0° |
| C3 | C2 | C1 | C | 52.4° | 60.0° |
| C3 | C2 | C1 | O1 | 171.5° | 180.0° |
| C3 | C2 | C1 | H19 | 69.2° | 60.0° |
| C2 | C3 | C24 | H35 | 55.9° | 60.0° |
| C3 | C2 | O2 | H48 | 180.0° | 180.0° |
| C24 | C25 | O12 | C | 123.7° | 120.0° |
| C24 | C25 | O12 | H18 | 118.7° | 120.1° |
| C24 | C25 | C | H18 | 122.1° | 120.1° |
| C24 | C25 | C | C1 | 30.5° | 60.0° |
| C24 | C25 | C | O | 90.4° | 59.9° |
| C25 | C24 | O11 | H4 | 58.8° | 60.0° |
| C24 | C25 | C | H20 | 151.5° | 179.9° |
| C25 | C24 | C3 | H36 | 53.6° | 60.0° |
| C24 | C25 | O12 | H47 | 180.0° | 180.0° |
| O2 | C2 | C1 | H32 | 120.5° | 120.0° |
| O2 | C2 | C1 | C | 173.0° | 180.0° |
| O2 | C2 | C1 | O1 | 67.8° | 59.9° |
| O2 | C2 | C1 | H19 | 51.5° | 60.0° |
| O2 | C2 | C3 | H36 | 69.0° | 60.0° |
| C2 | C1 | C | C25 | 33.5° | 60.0° |
| C2 | C1 | C | O1 | 118.7° | 120.0° |
| C2 | C1 | C | H19 | 121.7° | 120.0° |
| C2 | C1 | O1 | H19 | 118.2° | 119.9° |
| C2 | C1 | C | O | 86.7° | 60.0° |
| C2 | C1 | C | H20 | 154.5° | 180.0° |
| C1 | C2 | C3 | H36 | 51.1° | 60.0° |
| C2 | C1 | O1 | H46 | 180.0° | 180.0° |
| C1 | C2 | O2 | H48 | 59.4° | 60.0° |
| O12 | C25 | C | H18 | 118.9° | 119.9° |
| O12 | C25 | C | C1 | 149.5° | 180.0° |
| O12 | C25 | C | O | 28.6° | 60.1° |
| O12 | C25 | C | H20 | 89.4° | 59.9° |
| O12 | C25 | C24 | H35 | 44.5° | 60.0° |
| C25 | C | C1 | O | 120.2° | 119.9° |
| C25 | C | C1 | H20 | 121.1° | 120.0° |
| C25 | C | C1 | O1 | 152.2° | 180.0° |
| C25 | C | O | H20 | 116.8° | 120.0° |
| C25 | C | C1 | H19 | 88.2° | 60.0° |
| C25 | C | O | H21 | 180.0° | 180.0° |
| C | C25 | C24 | H35 | 73.8° | 60.0° |
| C | C25 | O12 | H47 | 56.3° | 60.0° |
| C | C1 | O1 | H19 | 118.5° | 120.0° |
| C1 | C | O | H20 | 117.6° | 120.1° |
| C1 | C | C25 | H18 | 91.6° | 60.1° |
| C1 | C | O | H21 | 54.4° | 60.0° |
| C | C1 | C2 | H32 | 66.5° | 60.0° |
| C | C1 | O1 | H46 | 56.7° | 59.9° |
| O1 | C1 | C | O | 32.0° | 60.1° |
| O1 | C1 | C | H20 | 86.8° | 60.0° |
| O1 | C1 | C2 | H32 | 52.7° | 60.1° |
| O | C | C25 | H18 | 147.5° | 180.0° |
| O | C | C1 | H19 | 151.6° | 179.9° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H1 | C10 | C9 | H44 | 59.5° | 60.0° |
| H1 | C10 | C9 | H45 | 59.6° | 180.0° |
| H2 | C10 | C9 | H44 | 60.4° | 180.0° |
| H2 | C10 | C9 | H45 | 179.6° | 60.0° |
| H3 | C10 | C9 | H44 | 179.5° | 60.0° |
| H3 | C10 | C9 | H45 | 60.4° | 60.0° |
| H4 | O11 | C24 | H35 | 60.0° | 60.0° |
| H5 | C16 | C17 | H7 | 51.5° | 60.0° |
| H5 | C16 | C17 | H8 | 170.5° | 179.9° |
| H5 | C16 | C15 | H28 | 159.1° | 180.0° |
| H5 | C16 | C15 | H29 | 40.5° | 60.0° |
| H6 | C16 | C17 | H7 | 67.7° | 179.9° |
| H6 | C16 | C17 | H8 | 51.3° | 60.0° |
| H6 | C16 | C15 | H28 | 81.7° | 60.0° |
| H6 | C16 | C15 | H29 | 159.7° | 179.9° |
| H7 | C17 | C18 | H30 | 176.2° | 180.0° |
| H7 | C17 | C18 | H31 | 65.2° | 60.0° |
| H8 | C17 | C18 | H30 | 57.2° | 60.0° |
| H8 | C17 | C18 | H31 | 175.8° | 180.0° |
| H9 | C19 | C20 | H11 | 166.8° | 60.0° |
| H9 | C19 | C20 | H12 | 47.8° | 179.9° |
| H9 | C19 | C18 | H30 | 165.1° | 60.0° |
| H9 | C19 | C18 | H31 | 76.4° | 179.9° |
| H10 | C19 | C20 | H11 | 73.5° | 179.9° |
| H10 | C19 | C20 | H12 | 167.5° | 60.0° |
| H10 | C19 | C18 | H30 | 45.4° | 179.9° |
| H10 | C19 | C18 | H31 | 163.9° | 60.0° |
| H11 | C20 | C21 | H13 | 179.3° | 179.9° |
| H11 | C20 | C21 | H14 | 61.6° | 60.0° |
| H12 | C20 | C21 | H13 | 60.4° | 60.0° |
| H12 | C20 | C21 | H14 | 179.5° | 180.0° |
| H13 | C21 | C22 | H33 | 176.9° | 179.9° |
| H13 | C21 | C22 | H34 | 64.2° | 60.0° |
| H14 | C21 | C22 | H33 | 57.7° | 60.0° |
| H14 | C21 | C22 | H34 | 176.7° | 180.0° |
| H15 | C23 | H16 | H17 | 119.9° | 120.0° |
| H15 | C23 | C22 | H33 | 59.5° | 179.9° |
| H15 | C23 | C22 | H34 | 59.5° | 60.1° |
| H16 | C23 | C22 | H33 | 60.5° | 60.0° |
| H16 | C23 | C22 | H34 | 179.5° | 180.0° |
| H17 | C23 | C22 | H33 | 179.5° | 60.0° |
| H17 | C23 | C22 | H34 | 60.5° | 60.0° |
| H18 | C25 | C | H20 | 29.4° | 60.0° |
| H18 | C25 | C24 | H35 | 164.3° | 180.0° |
| H18 | C25 | O12 | H47 | 61.3° | 60.0° |
| H19 | C1 | C | H20 | 32.8° | 60.0° |
| H19 | C1 | C2 | H32 | 171.9° | 180.0° |
| H19 | C1 | O1 | H46 | 61.8° | 60.1° |
| H20 | C | O | H21 | 63.2° | 60.0° |
| H22 | C12 | C13 | H24 | 126.4° | 179.9° |
| H22 | C12 | C13 | H25 | 7.5° | 60.0° |
| H23 | C12 | C13 | H24 | 114.5° | 60.0° |
| H23 | C12 | C13 | H25 | 126.6° | 179.9° |
| H24 | C13 | C14 | H26 | 160.8° | 179.9° |
| H24 | C13 | C14 | H27 | 79.9° | 60.0° |
| H25 | C13 | C14 | H26 | 41.8° | 60.0° |
| H25 | C13 | C14 | H27 | 161.2° | 179.9° |
| H26 | C14 | C15 | H28 | 161.1° | 60.0° |
| H26 | C14 | C15 | H29 | 42.5° | 179.9° |
| H27 | C14 | C15 | H28 | 79.6° | 179.9° |
| H27 | C14 | C15 | H29 | 161.8° | 60.0° |
| H32 | C2 | C3 | H36 | 169.9° | 179.9° |
| H32 | C2 | O2 | H48 | 59.9° | 59.9° |
| H35 | C24 | C3 | H36 | 174.1° | 180.0° |
| H37 | C4 | C5 | H39 | 66.5° | 65.0° |
| H38 | C4 | C5 | H39 | 174.1° | 55.1° |
| H39 | C5 | C6 | H40 | 69.5° | 55.1° |
| H39 | C5 | C6 | H41 | 50.9° | 64.9° |
| H42 | C8 | C9 | H44 | 175.0° | 59.9° |
| H42 | C8 | C9 | H45 | 66.0° | 180.0° |
| H43 | C8 | C9 | H44 | 55.4° | 180.0° |
| H43 | C8 | C9 | H45 | 174.5° | 59.9° |
