XJA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C11 | O10 | doub | 1.21Å | 1.18Å | |
| C11 | O9 | sing | 1.34Å | 1.40Å | |
| C7 | O7 | sing | 1.34Å | 1.39Å | |
| C7 | O8 | doub | 1.21Å | 1.17Å | |
| O9 | C5 | sing | 1.45Å | 1.40Å | |
| O7 | C6 | sing | 1.45Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O6 | sing | 1.43Å | 1.39Å | |
| O6 | P | sing | 1.61Å | 1.64Å | |
| O5 | P | doub | 1.48Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.49Å | |
| P | O3 | sing | 1.61Å | 1.63Å | |
| O3 | C3 | sing | 1.43Å | 1.39Å | |
| C3 | C24 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C24 | O11 | sing | 1.43Å | 1.40Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C25 | O12 | sing | 1.43Å | 1.41Å | |
| C25 | C | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| 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 | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| O | H18 | sing | 0.97Å | 0.95Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | 111.8° | 109.5° |
| C23 | C22 | H29 | 108.9° | 109.5° |
| C23 | C22 | H30 | 108.9° | 109.4° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C22 | C21 | C20 | 112.5° | 109.5° |
| C22 | C21 | H15 | 108.7° | 109.5° |
| C22 | C21 | H16 | 108.7° | 109.4° |
| C21 | C22 | H29 | 108.9° | 109.6° |
| C21 | C22 | H30 | 108.9° | 109.5° |
| C21 | C20 | C19 | 110.6° | 109.5° |
| C21 | C20 | H13 | 109.2° | 109.5° |
| C21 | C20 | H14 | 109.2° | 109.5° |
| C20 | C21 | H15 | 108.7° | 109.5° |
| C20 | C21 | H16 | 108.7° | 109.5° |
| C20 | C19 | C18 | 114.2° | 109.5° |
| C20 | C19 | H11 | 108.3° | 109.5° |
| C20 | C19 | H12 | 108.3° | 109.5° |
| C19 | C20 | H13 | 109.2° | 109.5° |
| C19 | C20 | H14 | 109.2° | 109.4° |
| C19 | C18 | C17 | 110.2° | 109.5° |
| C19 | C18 | H9 | 109.3° | 109.5° |
| C19 | C18 | H10 | 109.3° | 109.5° |
| C18 | C19 | H11 | 108.3° | 109.4° |
| C18 | C19 | H12 | 108.3° | 109.5° |
| C18 | C17 | C16 | 111.7° | 109.5° |
| C18 | C17 | H7 | 108.9° | 109.4° |
| C18 | C17 | H8 | 108.9° | 109.5° |
| C17 | C18 | H9 | 109.3° | 109.5° |
| C17 | C18 | H10 | 109.3° | 109.4° |
| C17 | C16 | C15 | 114.1° | 109.5° |
| C17 | C16 | H5 | 108.3° | 109.5° |
| C17 | C16 | H6 | 108.3° | 109.5° |
| C16 | C17 | H7 | 108.9° | 109.5° |
| C16 | C17 | H8 | 108.9° | 109.5° |
| C16 | C15 | C14 | 113.6° | 109.5° |
| C15 | C16 | H5 | 108.3° | 109.5° |
| C15 | C16 | H6 | 108.3° | 109.4° |
| C16 | C15 | H26 | 108.4° | 109.5° |
| C16 | C15 | H27 | 108.4° | 109.5° |
| C15 | C14 | C13 | 113.8° | 109.5° |
| C15 | C14 | H24 | 108.4° | 109.4° |
| C15 | C14 | H25 | 108.4° | 109.4° |
| C14 | C15 | H26 | 108.4° | 109.4° |
| C14 | C15 | H27 | 108.4° | 109.5° |
| C14 | C13 | C12 | 112.6° | 109.5° |
| C14 | C13 | H22 | 108.7° | 109.4° |
| C14 | C13 | H23 | 108.7° | 109.4° |
| C13 | C14 | H24 | 108.4° | 109.5° |
| C13 | C14 | H25 | 108.4° | 109.5° |
| C10 | C9 | C8 | 112.3° | 109.5° |
| C9 | C10 | H1 | 109.5° | 109.5° |
| C9 | C10 | H2 | 109.5° | 109.4° |
| C9 | C10 | H3 | 109.5° | 109.4° |
| C10 | C9 | H44 | 108.8° | 109.4° |
| C10 | C9 | H45 | 108.8° | 109.4° |
| C13 | C12 | C11 | 112.7° | 109.4° |
| C13 | C12 | H20 | 108.6° | 109.4° |
| C13 | C12 | H21 | 108.7° | 109.5° |
| C12 | C13 | H22 | 108.7° | 109.5° |
| C12 | C13 | H23 | 108.7° | 109.5° |
| C12 | C11 | O10 | 119.6° | 120.0° |
| C12 | C11 | O9 | 121.2° | 120.0° |
| C11 | C12 | H20 | 108.7° | 109.5° |
| C11 | C12 | H21 | 108.7° | 109.5° |
| C9 | C8 | C7 | 110.1° | 109.4° |
| C9 | C8 | H42 | 109.3° | 109.5° |
| C9 | C8 | H43 | 109.3° | 109.4° |
| C8 | C9 | H44 | 108.7° | 109.5° |
| C8 | C9 | H45 | 108.8° | 109.5° |
| C8 | C7 | O7 | 120.1° | 119.9° |
| C8 | C7 | O8 | 118.0° | 120.0° |
| C7 | C8 | H42 | 109.3° | 109.5° |
| C7 | C8 | H43 | 109.3° | 109.5° |
| O10 | C11 | O9 | 119.1° | 120.0° |
| C11 | O9 | C5 | 118.7° | 117.0° |
| O7 | C7 | O8 | 121.9° | 120.0° |
| C7 | O7 | C6 | 118.4° | 117.0° |
| O9 | C5 | C6 | 107.8° | 109.4° |
| O9 | C5 | C4 | 108.8° | 109.5° |
| O9 | C5 | H39 | 111.0° | 109.5° |
| O7 | C6 | C5 | 107.1° | 109.4° |
| O7 | C6 | H40 | 110.0° | 109.4° |
| O7 | C6 | H41 | 110.1° | 109.5° |
| C6 | C5 | C4 | 110.9° | 109.5° |
| C6 | C5 | H39 | 109.2° | 109.4° |
| C5 | C6 | H40 | 110.1° | 109.5° |
| C5 | C6 | H41 | 110.0° | 109.5° |
| C5 | C4 | O6 | 109.6° | 109.5° |
| C5 | C4 | H37 | 109.5° | 109.5° |
| C5 | C4 | H38 | 109.4° | 109.4° |
| C4 | C5 | H39 | 109.3° | 109.4° |
| C4 | O6 | P | 118.6° | 123.0° |
| O6 | C4 | H37 | 109.4° | 109.5° |
| O6 | C4 | H38 | 109.4° | 109.5° |
| O6 | P | O5 | 110.2° | 109.5° |
| O6 | P | O4 | 110.2° | 109.4° |
| O6 | P | O3 | 108.6° | 109.5° |
| O5 | P | O4 | 110.2° | 109.4° |
| O5 | P | O3 | 109.8° | 109.5° |
| O4 | P | O3 | 107.7° | 109.5° |
| P | O4 | H49 | 109.5° | 114.0° |
| P | O3 | C3 | 116.0° | 123.0° |
| O3 | C3 | C24 | 109.1° | 109.5° |
| O3 | C3 | C2 | 106.5° | 109.5° |
| O3 | C3 | H36 | 111.0° | 109.5° |
| C24 | C3 | C2 | 112.3° | 109.5° |
| C3 | C24 | O11 | 108.3° | 109.5° |
| C3 | C24 | C25 | 110.4° | 109.4° |
| C3 | C24 | H34 | 109.2° | 109.5° |
| C24 | C3 | H36 | 109.0° | 109.4° |
| C3 | C2 | O2 | 106.5° | 109.5° |
| C3 | C2 | C1 | 111.7° | 109.4° |
| C3 | C2 | H28 | 108.7° | 109.5° |
| C2 | C3 | H36 | 109.0° | 109.4° |
| O2 | C2 | C1 | 110.8° | 109.5° |
| O2 | C2 | H28 | 110.5° | 109.5° |
| C2 | O2 | H48 | 109.5° | 114.0° |
| O11 | C24 | C25 | 108.7° | 109.5° |
| C24 | O11 | H4 | 109.5° | 114.0° |
| O11 | C24 | H34 | 111.0° | 109.5° |
| C24 | C25 | O12 | 109.2° | 109.5° |
| C24 | C25 | C | 109.7° | 109.5° |
| C25 | C24 | H34 | 109.3° | 109.5° |
| C24 | C25 | H35 | 108.9° | 109.4° |
| C2 | C1 | C | 112.2° | 109.5° |
| C2 | C1 | O1 | 109.0° | 109.4° |
| C2 | C1 | H19 | 108.8° | 109.5° |
| C1 | C2 | H28 | 108.7° | 109.5° |
| O12 | C25 | C | 109.8° | 109.5° |
| O12 | C25 | H35 | 110.4° | 109.4° |
| C25 | O12 | H47 | 109.5° | 114.0° |
| C25 | C | C1 | 111.9° | 109.4° |
| C25 | C | O | 107.9° | 109.5° |
| C25 | C | H17 | 109.1° | 109.5° |
| C | C25 | H35 | 108.8° | 109.4° |
| C | C1 | O1 | 107.5° | 109.5° |
| C1 | C | O | 108.1° | 109.4° |
| C1 | C | H17 | 109.1° | 109.4° |
| C | C1 | H19 | 108.8° | 109.5° |
| O1 | C1 | H19 | 110.6° | 109.5° |
| C1 | O1 | H46 | 109.5° | 114.0° |
| O | C | H17 | 110.8° | 109.5° |
| C | O | H18 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.4° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H31 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.4° | 109.4° |
| H37 | C4 | H38 | 109.4° | 109.5° |
| H40 | C6 | H41 | 109.5° | 109.5° |
| H42 | C8 | H43 | 109.5° | 109.5° |
| 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 | H29 | 120.4° | 120.1° |
| C23 | C22 | C21 | H30 | 120.3° | 119.9° |
| C23 | C22 | C21 | C20 | 60.7° | 180.0° |
| C23 | C22 | C21 | H15 | 178.9° | 59.9° |
| C23 | C22 | C21 | H16 | 59.8° | 60.0° |
| C23 | C22 | H29 | H30 | 118.9° | 119.9° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C22 | C23 | H31 | H33 | 120.0° | 120.1° |
| C22 | C23 | H32 | H33 | 120.0° | 120.0° |
| C22 | C21 | C20 | H15 | 120.5° | 120.0° |
| C22 | C21 | C20 | H16 | 120.5° | 119.9° |
| C22 | C21 | C20 | C19 | 163.6° | 180.0° |
| C22 | C21 | C20 | H13 | 76.2° | 60.0° |
| C22 | C21 | C20 | H14 | 43.5° | 60.1° |
| C22 | C21 | H15 | H16 | 118.6° | 119.9° |
| C21 | C22 | H29 | H30 | 118.9° | 120.0° |
| C21 | C22 | C23 | H31 | 180.0° | 59.9° |
| C21 | C22 | C23 | H32 | 60.0° | 60.1° |
| C21 | C22 | C23 | H33 | 60.0° | 180.0° |
| C21 | C20 | C19 | H13 | 120.2° | 120.0° |
| C21 | C20 | C19 | H14 | 120.2° | 120.0° |
| C21 | C20 | C19 | C18 | 176.7° | 180.0° |
| C21 | C20 | C19 | H11 | 62.6° | 60.0° |
| C21 | C20 | C19 | H12 | 56.0° | 60.0° |
| C21 | C20 | H13 | H14 | 119.5° | 120.0° |
| C20 | C21 | H15 | H16 | 118.6° | 120.0° |
| C20 | C21 | C22 | H29 | 59.7° | 59.9° |
| C20 | C21 | C22 | H30 | 179.0° | 60.1° |
| C20 | C19 | C18 | H11 | 120.7° | 120.0° |
| C20 | C19 | C18 | H12 | 120.7° | 120.1° |
| C20 | C19 | C18 | C17 | 175.1° | 180.0° |
| C20 | C19 | C18 | H9 | 54.9° | 60.0° |
| C20 | C19 | C18 | H10 | 64.8° | 60.0° |
| C20 | C19 | H11 | H12 | 117.9° | 120.0° |
| C19 | C20 | H13 | H14 | 119.5° | 120.0° |
| C19 | C20 | C21 | H15 | 43.2° | 60.0° |
| C19 | C20 | C21 | H16 | 75.9° | 60.0° |
| C19 | C18 | C17 | H9 | 120.1° | 120.0° |
| C19 | C18 | C17 | H10 | 120.1° | 120.0° |
| C19 | C18 | C17 | C16 | 175.0° | 180.0° |
| C19 | C18 | C17 | H7 | 64.6° | 60.0° |
| C19 | C18 | C17 | H8 | 54.7° | 60.0° |
| C19 | C18 | H9 | H10 | 119.7° | 120.0° |
| C18 | C19 | H11 | H12 | 117.9° | 119.9° |
| C18 | C19 | C20 | H13 | 56.5° | 60.0° |
| C18 | C19 | C20 | H14 | 63.1° | 60.0° |
| C18 | C17 | C16 | H7 | 120.3° | 120.0° |
| C18 | C17 | C16 | H8 | 120.3° | 120.0° |
| C18 | C17 | C16 | C15 | 162.6° | 180.0° |
| C18 | C17 | C16 | H5 | 42.0° | 60.0° |
| C18 | C17 | C16 | H6 | 76.7° | 60.0° |
| C18 | C17 | H7 | H8 | 119.0° | 120.0° |
| C17 | C18 | H9 | H10 | 119.7° | 119.9° |
| C17 | C18 | C19 | H11 | 64.3° | 60.0° |
| C17 | C18 | C19 | H12 | 54.4° | 59.9° |
| C17 | C16 | C15 | H5 | 120.7° | 120.0° |
| C17 | C16 | C15 | H6 | 120.7° | 120.0° |
| C17 | C16 | C15 | C14 | 82.9° | 180.0° |
| C17 | C16 | H5 | H6 | 117.9° | 120.0° |
| C16 | C17 | H7 | H8 | 119.0° | 120.0° |
| C16 | C17 | C18 | H9 | 54.9° | 60.0° |
| C16 | C17 | C18 | H10 | 64.8° | 60.0° |
| C17 | C16 | C15 | H26 | 37.7° | 60.0° |
| C17 | C16 | C15 | H27 | 156.4° | 60.0° |
| C16 | C15 | C14 | H26 | 120.6° | 120.0° |
| C16 | C15 | C14 | H27 | 120.6° | 120.0° |
| C16 | C15 | C14 | C13 | 71.6° | 180.0° |
| C15 | C16 | H5 | H6 | 117.9° | 120.0° |
| C15 | C16 | C17 | H7 | 77.0° | 60.0° |
| C15 | C16 | C17 | H8 | 42.3° | 60.0° |
| C16 | C15 | C14 | H24 | 49.1° | 60.0° |
| C16 | C15 | C14 | H25 | 167.8° | 60.0° |
| C16 | C15 | H26 | H27 | 118.1° | 120.0° |
| C15 | C14 | C13 | H24 | 120.6° | 120.0° |
| C15 | C14 | C13 | H25 | 120.6° | 120.0° |
| C15 | C14 | C13 | C12 | 152.6° | 180.0° |
| C14 | C15 | C16 | H5 | 156.4° | 60.0° |
| C14 | C15 | C16 | H6 | 37.7° | 60.0° |
| C15 | C14 | C13 | H22 | 32.2° | 60.0° |
| C15 | C14 | C13 | H23 | 86.9° | 60.0° |
| C15 | C14 | H24 | H25 | 118.0° | 119.9° |
| C14 | C15 | H26 | H27 | 118.1° | 120.0° |
| C14 | C13 | C12 | H22 | 120.4° | 120.0° |
| C14 | C13 | C12 | H23 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 179.7° | 180.0° |
| C14 | C13 | C12 | H20 | 59.9° | 60.0° |
| C14 | C13 | C12 | H21 | 59.2° | 60.0° |
| C14 | C13 | H22 | H23 | 118.6° | 120.0° |
| C13 | C14 | H24 | H25 | 118.0° | 120.0° |
| C13 | C14 | C15 | H26 | 167.8° | 60.0° |
| C13 | C14 | C15 | H27 | 49.1° | 60.0° |
| C10 | C9 | C8 | H44 | 120.5° | 119.9° |
| C10 | C9 | C8 | H45 | 120.4° | 120.0° |
| C10 | C9 | C8 | C7 | 178.7° | 180.0° |
| C9 | C10 | H1 | H2 | 120.0° | 119.9° |
| C9 | C10 | H1 | H3 | 120.0° | 120.0° |
| C9 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C9 | C8 | H42 | 58.6° | 60.0° |
| C10 | C9 | C8 | H43 | 61.2° | 60.1° |
| C10 | C9 | H44 | H45 | 118.7° | 120.0° |
| C13 | C12 | C11 | H20 | 120.5° | 119.9° |
| C13 | C12 | C11 | H21 | 120.5° | 120.0° |
| C13 | C12 | C11 | O10 | 132.5° | 0.0° |
| C13 | C12 | C11 | O9 | 46.1° | 180.0° |
| C13 | C12 | H20 | H21 | 118.5° | 120.0° |
| C12 | C13 | H22 | H23 | 118.6° | 120.1° |
| C12 | C13 | C14 | H24 | 86.7° | 60.0° |
| C12 | C13 | C14 | H25 | 32.0° | 60.0° |
| C12 | C11 | O10 | O9 | 178.6° | 180.0° |
| C12 | C11 | O9 | C5 | 82.7° | 180.0° |
| C11 | C12 | H20 | H21 | 118.5° | 120.1° |
| C11 | C12 | C13 | H22 | 59.2° | 60.0° |
| C11 | C12 | C13 | H23 | 59.9° | 60.0° |
| C9 | C8 | C7 | H42 | 120.1° | 120.0° |
| C9 | C8 | C7 | H43 | 120.1° | 119.9° |
| C9 | C8 | C7 | O7 | 174.8° | 180.0° |
| C9 | C8 | C7 | O8 | 5.9° | 0.0° |
| C8 | C9 | C10 | H1 | 180.0° | 59.9° |
| C8 | C9 | C10 | H2 | 60.0° | 60.0° |
| C8 | C9 | C10 | H3 | 60.0° | 180.0° |
| C9 | C8 | H42 | H43 | 119.7° | 120.0° |
| C8 | C9 | H44 | H45 | 118.7° | 120.1° |
| C8 | C7 | O7 | O8 | 179.3° | 180.0° |
| C8 | C7 | O7 | C6 | 165.7° | 180.0° |
| C7 | C8 | H42 | H43 | 119.7° | 120.1° |
| C7 | C8 | C9 | H44 | 60.9° | 60.1° |
| C7 | C8 | C9 | H45 | 58.3° | 60.0° |
| O10 | C11 | O9 | C5 | 98.7° | 0.0° |
| O10 | C11 | C12 | H20 | 12.0° | 119.9° |
| O10 | C11 | C12 | H21 | 107.0° | 120.0° |
| C11 | O9 | C5 | C6 | 157.9° | 90.0° |
| C11 | O9 | C5 | C4 | 81.8° | 149.9° |
| O9 | C11 | C12 | H20 | 166.6° | 60.1° |
| O9 | C11 | C12 | H21 | 74.4° | 60.0° |
| C11 | O9 | C5 | H39 | 38.4° | 30.0° |
| C7 | O7 | C6 | C5 | 140.5° | 180.0° |
| C7 | O7 | C6 | H40 | 99.9° | 60.0° |
| C7 | O7 | C6 | H41 | 20.9° | 60.0° |
| O7 | C7 | C8 | H42 | 54.7° | 60.0° |
| O7 | C7 | C8 | H43 | 65.1° | 60.1° |
| O8 | C7 | O7 | C6 | 15.0° | 0.0° |
| O8 | C7 | C8 | H42 | 126.0° | 120.0° |
| O8 | C7 | C8 | H43 | 114.2° | 119.9° |
| O9 | C5 | C6 | O7 | 68.5° | 65.1° |
| O9 | C5 | C6 | C4 | 118.9° | 120.1° |
| O9 | C5 | C6 | H39 | 120.6° | 120.0° |
| O9 | C5 | C4 | H39 | 121.3° | 120.0° |
| O9 | C5 | C4 | O6 | 114.3° | 65.0° |
| O9 | C5 | C4 | H37 | 5.7° | 55.0° |
| O9 | C5 | C4 | H38 | 125.6° | 175.0° |
| O9 | C5 | C6 | H40 | 171.9° | 175.0° |
| O9 | C5 | C6 | H41 | 51.2° | 55.0° |
| O7 | C6 | C5 | H40 | 119.6° | 119.9° |
| O7 | C6 | C5 | H41 | 119.6° | 120.0° |
| O7 | C6 | C5 | C4 | 172.6° | 55.0° |
| O7 | C6 | C5 | H39 | 52.2° | 175.0° |
| O7 | C6 | H40 | H41 | 121.1° | 120.0° |
| C6 | C5 | C4 | H39 | 120.4° | 120.0° |
| C6 | C5 | C4 | O6 | 4.0° | 55.0° |
| C6 | C5 | C4 | H37 | 124.0° | 175.0° |
| C6 | C5 | C4 | H38 | 116.1° | 65.0° |
| C5 | C6 | H40 | H41 | 121.1° | 120.1° |
| C5 | C4 | O6 | H37 | 120.1° | 120.0° |
| C5 | C4 | O6 | H38 | 120.1° | 119.9° |
| C5 | C4 | O6 | P | 140.9° | 180.0° |
| C5 | C4 | H37 | H38 | 119.9° | 120.0° |
| C4 | C5 | C6 | H40 | 53.0° | 65.0° |
| C4 | C5 | C6 | H41 | 67.8° | 175.0° |
| C4 | O6 | P | O5 | 94.1° | 55.0° |
| C4 | O6 | P | O4 | 27.9° | 65.0° |
| C4 | O6 | P | O3 | 145.6° | 175.0° |
| O6 | C4 | H37 | H38 | 119.9° | 120.0° |
| O6 | C4 | C5 | H39 | 124.4° | 175.0° |
| O6 | P | O5 | O4 | 121.9° | 119.9° |
| O6 | P | O5 | O3 | 119.6° | 120.0° |
| O6 | P | O4 | O3 | 118.3° | 120.0° |
| O6 | P | O3 | C3 | 100.1° | 175.0° |
| P | O6 | C4 | H37 | 20.8° | 60.0° |
| P | O6 | C4 | H38 | 99.1° | 60.0° |
| O6 | P | O4 | H49 | 121.9° | 60.1° |
| O5 | P | O4 | O3 | 119.8° | 120.0° |
| O5 | P | O3 | C3 | 20.5° | 55.0° |
| O5 | P | O4 | H49 | 0.0° | 180.0° |
| O4 | P | O3 | C3 | 140.6° | 65.0° |
| P | O3 | C3 | C24 | 130.2° | 119.9° |
| P | O3 | C3 | C2 | 108.4° | 120.0° |
| P | O3 | C3 | H36 | 10.1° | 0.1° |
| O3 | P | O4 | H49 | 119.8° | 60.0° |
| O3 | C3 | C24 | C2 | 117.8° | 120.1° |
| O3 | C3 | C24 | H36 | 121.3° | 120.0° |
| O3 | C3 | C2 | H36 | 119.8° | 120.0° |
| O3 | C3 | C2 | O2 | 36.9° | 60.0° |
| O3 | C3 | C24 | O11 | 24.5° | 59.9° |
| O3 | C3 | C24 | C25 | 143.4° | 60.0° |
| O3 | C3 | C2 | C1 | 84.2° | 60.0° |
| O3 | C3 | C2 | H28 | 155.9° | 180.0° |
| O3 | C3 | C24 | H34 | 96.5° | 180.0° |
| C24 | C3 | C2 | H36 | 120.9° | 119.9° |
| C24 | C3 | C2 | O2 | 156.3° | 180.0° |
| C3 | C24 | O11 | C25 | 120.0° | 119.9° |
| C3 | C24 | O11 | H34 | 119.9° | 120.1° |
| C3 | C24 | C25 | H34 | 120.1° | 120.0° |
| C24 | C3 | C2 | C1 | 35.2° | 60.1° |
| C3 | C24 | C25 | O12 | 172.7° | 60.0° |
| C3 | C24 | C25 | C | 66.9° | 60.1° |
| C3 | C24 | O11 | H4 | 180.0° | 180.0° |
| C24 | C3 | C2 | H28 | 84.7° | 59.9° |
| C3 | C24 | C25 | H35 | 52.1° | 180.0° |
| C3 | C2 | O2 | C1 | 121.6° | 120.0° |
| C3 | C2 | O2 | H28 | 117.9° | 120.0° |
| C2 | C3 | C24 | O11 | 93.3° | 180.0° |
| C2 | C3 | C24 | C25 | 25.5° | 60.1° |
| C3 | C2 | C1 | H28 | 119.9° | 120.0° |
| C3 | C2 | C1 | C | 59.4° | 60.0° |
| C3 | C2 | C1 | O1 | 178.3° | 180.0° |
| C3 | C2 | C1 | H19 | 61.0° | 60.0° |
| C2 | C3 | C24 | H34 | 145.7° | 59.9° |
| C3 | C2 | O2 | H48 | 180.0° | 180.0° |
| O2 | C2 | C1 | H28 | 121.5° | 120.0° |
| O2 | C2 | C1 | C | 178.0° | 180.0° |
| O2 | C2 | C1 | O1 | 63.1° | 60.0° |
| O2 | C2 | C1 | H19 | 57.6° | 60.0° |
| O2 | C2 | C3 | H36 | 82.9° | 60.0° |
| O11 | C24 | C25 | H34 | 121.2° | 120.0° |
| O11 | C24 | C25 | O12 | 68.6° | 59.9° |
| O11 | C24 | C25 | C | 51.8° | 180.0° |
| O11 | C24 | C25 | H35 | 170.8° | 60.0° |
| O11 | C24 | C3 | H36 | 145.8° | 60.1° |
| C24 | C25 | O12 | C | 120.3° | 120.1° |
| C24 | C25 | O12 | H35 | 119.7° | 120.0° |
| C24 | C25 | C | H35 | 119.0° | 120.0° |
| C24 | C25 | C | C1 | 42.4° | 60.0° |
| C24 | C25 | C | O | 76.3° | 180.0° |
| C25 | C24 | O11 | H4 | 60.0° | 60.1° |
| C24 | C25 | C | H17 | 163.2° | 59.9° |
| C25 | C24 | C3 | H36 | 95.3° | 180.0° |
| C24 | C25 | O12 | H47 | 180.0° | 180.0° |
| C2 | C1 | C | C25 | 18.4° | 60.0° |
| C2 | C1 | C | O1 | 119.7° | 120.0° |
| C2 | C1 | C | H19 | 120.4° | 120.0° |
| C2 | C1 | O1 | H19 | 119.5° | 120.0° |
| C2 | C1 | C | O | 137.0° | 180.0° |
| C2 | C1 | C | H17 | 102.4° | 59.9° |
| C1 | C2 | C3 | H36 | 156.0° | 180.0° |
| C2 | C1 | O1 | H46 | 180.0° | 180.0° |
| C1 | C2 | O2 | H48 | 58.3° | 60.0° |
| O12 | C25 | C | H35 | 120.9° | 120.0° |
| O12 | C25 | C | C1 | 162.5° | 60.0° |
| O12 | C25 | C | O | 43.7° | 59.9° |
| O12 | C25 | C | H17 | 76.8° | 180.0° |
| O12 | C25 | C24 | H34 | 52.6° | 180.0° |
| C25 | C | C1 | O | 118.6° | 120.0° |
| C25 | C | C1 | H17 | 120.8° | 120.0° |
| C25 | C | C1 | O1 | 138.1° | 180.0° |
| C25 | C | O | H17 | 119.4° | 120.1° |
| C25 | C | O | H18 | 180.0° | 60.1° |
| C25 | C | C1 | H19 | 102.0° | 60.0° |
| C | C25 | C24 | H34 | 173.0° | 60.0° |
| C | C25 | O12 | H47 | 59.7° | 59.9° |
| C | C1 | O1 | H19 | 118.7° | 120.0° |
| C1 | C | O | H17 | 119.5° | 120.0° |
| C1 | C | O | H18 | 58.9° | 180.0° |
| C | C1 | C2 | H28 | 60.5° | 60.0° |
| C1 | C | C25 | H35 | 76.6° | 180.0° |
| C | C1 | O1 | H46 | 58.3° | 60.0° |
| O1 | C1 | C | O | 103.3° | 60.0° |
| O1 | C1 | C | H17 | 17.4° | 60.0° |
| O1 | C1 | C2 | H28 | 58.4° | 60.0° |
| O | C | C1 | H19 | 16.6° | 60.0° |
| O | C | C25 | H35 | 164.7° | 60.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H1 | C10 | C9 | H44 | 59.6° | 60.0° |
| H1 | C10 | C9 | H45 | 59.6° | 179.9° |
| H2 | C10 | C9 | H44 | 60.4° | 179.9° |
| H2 | C10 | C9 | H45 | 179.6° | 60.0° |
| H3 | C10 | C9 | H44 | 179.6° | 60.0° |
| H3 | C10 | C9 | H45 | 60.4° | 60.0° |
| H4 | O11 | C24 | H34 | 60.2° | 59.9° |
| H5 | C16 | C17 | H7 | 162.3° | 60.0° |
| H5 | C16 | C17 | H8 | 78.4° | 180.0° |
| H5 | C16 | C15 | H26 | 83.0° | NaN° |
| H5 | C16 | C15 | H27 | 35.8° | 60.0° |
| H6 | C16 | C17 | H7 | 43.6° | 180.0° |
| H6 | C16 | C17 | H8 | 163.0° | 60.0° |
| H6 | C16 | C15 | H26 | 158.3° | 60.0° |
| H6 | C16 | C15 | H27 | 82.9° | 180.0° |
| H7 | C17 | C18 | H9 | 175.3° | 179.9° |
| H7 | C17 | C18 | H10 | 55.5° | 60.0° |
| H8 | C17 | C18 | H9 | 65.4° | 60.0° |
| H8 | C17 | C18 | H10 | 174.9° | 180.0° |
| H9 | C18 | C19 | H11 | 175.6° | 180.0° |
| H9 | C18 | C19 | H12 | 65.8° | 60.1° |
| H10 | C18 | C19 | H11 | 55.9° | 60.0° |
| H10 | C18 | C19 | H12 | 174.5° | 179.9° |
| H11 | C19 | C20 | H13 | 177.2° | 180.0° |
| H11 | C19 | C20 | H14 | 57.5° | 60.0° |
| H12 | C19 | C20 | H13 | 64.2° | 60.0° |
| H12 | C19 | C20 | H14 | 176.2° | 180.0° |
| H13 | C20 | C21 | H15 | 163.3° | 180.0° |
| H13 | C20 | C21 | H16 | 44.3° | 60.0° |
| H14 | C20 | C21 | H15 | 77.0° | 60.0° |
| H14 | C20 | C21 | H16 | 163.9° | 180.0° |
| H15 | C21 | C22 | H29 | 60.8° | 180.0° |
| H15 | C21 | C22 | H30 | 58.5° | 60.0° |
| H16 | C21 | C22 | H29 | 179.8° | 60.0° |
| H16 | C21 | C22 | H30 | 60.5° | 180.0° |
| H17 | C | O | H18 | 60.6° | 60.0° |
| H17 | C | C1 | H19 | 137.2° | 180.0° |
| H17 | C | C25 | H35 | 44.2° | 60.1° |
| H19 | C1 | C2 | H28 | 179.1° | 180.0° |
| H19 | C1 | O1 | H46 | 60.4° | 60.0° |
| H20 | C12 | C13 | H22 | 179.7° | 180.0° |
| H20 | C12 | C13 | H23 | 60.6° | 60.0° |
| H21 | C12 | C13 | H22 | 61.3° | 60.0° |
| H21 | C12 | C13 | H23 | 179.6° | 180.0° |
| H22 | C13 | C14 | H24 | 152.8° | 180.0° |
| H22 | C13 | C14 | H25 | 88.5° | 60.0° |
| H23 | C13 | C14 | H24 | 33.7° | 60.0° |
| H23 | C13 | C14 | H25 | 152.4° | 180.0° |
| H24 | C14 | C15 | H26 | 71.5° | 60.1° |
| H24 | C14 | C15 | H27 | 169.7° | 180.0° |
| H25 | C14 | C15 | H26 | 47.2° | 180.0° |
| H25 | C14 | C15 | H27 | 71.6° | 60.0° |
| H28 | C2 | C3 | H36 | 36.1° | 60.0° |
| H28 | C2 | O2 | H48 | 62.2° | 60.0° |
| H29 | C22 | C23 | H31 | 59.6° | 180.0° |
| H29 | C22 | C23 | H32 | 60.3° | 60.1° |
| H29 | C22 | C23 | H33 | 179.7° | 59.9° |
| H30 | C22 | C23 | H31 | 59.7° | 60.1° |
| H30 | C22 | C23 | H32 | 179.7° | 180.0° |
| H30 | C22 | C23 | H33 | 60.4° | 60.0° |
| H31 | C23 | H32 | H33 | 120.0° | 120.0° |
| H34 | C24 | C25 | H35 | 68.0° | 60.0° |
| H34 | C24 | C3 | H36 | 24.8° | 60.0° |
| H35 | C25 | O12 | H47 | 60.2° | 60.0° |
| H37 | C4 | C5 | H39 | 115.6° | 65.0° |
| H38 | C4 | C5 | H39 | 4.3° | 55.0° |
| H39 | C5 | C6 | H40 | 67.5° | 55.0° |
| H39 | C5 | C6 | H41 | 171.8° | 65.0° |
| H42 | C8 | C9 | H44 | 179.1° | 60.0° |
| H42 | C8 | C9 | H45 | 61.8° | 180.0° |
| H43 | C8 | C9 | H44 | 59.2° | 180.0° |
| H43 | C8 | C9 | H45 | 178.4° | 59.9° |
