DMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C37 | sing | 1.53Å | 1.53Å | |
| C40 | C43 | sing | 1.53Å | 1.52Å | |
| C37 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C25 | sing | 1.53Å | 1.52Å | |
| C22 | C25 | sing | 1.53Å | 1.52Å | |
| C22 | C19 | sing | 1.53Å | 1.51Å | |
| O61 | C57 | sing | 1.43Å | 1.43Å | |
| O4 | C7 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | O16 | sing | 1.43Å | 1.42Å | |
| O5 | C6 | sing | 1.43Å | 1.42Å | |
| O5 | C4 | sing | 1.43Å | 1.43Å | |
| C57 | C4 | sing | 1.53Å | 1.53Å | |
| C6 | O16 | sing | 1.43Å | 1.43Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| O1 | C10 | sing | 1.43Å | 1.44Å | |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C10 | C5 | sing | 1.53Å | 1.52Å | |
| C10 | O7 | sing | 1.43Å | 1.42Å | |
| C5 | O3 | sing | 1.43Å | 1.44Å | |
| O49 | C1 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | O2 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | O6 | sing | 1.43Å | 1.44Å | |
| C3 | O7 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O55 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| O49 | H27 | sing | 0.97Å | 0.95Å | |
| O55 | H28 | sing | 0.97Å | 0.95Å | |
| C57 | H29 | sing | 1.09Å | 1.10Å | |
| C57 | H30 | sing | 1.09Å | 1.10Å | |
| O61 | H31 | sing | 0.97Å | 0.95Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| O4 | H39 | sing | 0.97Å | 0.95Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| O6 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C40 | C43 | 111.8° | 109.4° |
| C40 | C37 | C34 | 110.6° | 109.5° |
| C40 | C37 | H20 | 109.2° | 109.4° |
| C40 | C37 | H21 | 109.2° | 109.4° |
| C37 | C40 | H22 | 108.9° | 109.5° |
| C37 | C40 | H23 | 108.9° | 109.5° |
| C43 | C40 | H22 | 108.9° | 109.5° |
| C43 | C40 | H23 | 108.9° | 109.5° |
| C40 | C43 | H24 | 109.5° | 109.5° |
| C40 | C43 | H25 | 109.5° | 109.5° |
| C40 | C43 | H26 | 109.5° | 109.5° |
| C37 | C34 | C31 | 112.4° | 109.5° |
| C37 | C34 | H18 | 108.7° | 109.4° |
| C37 | C34 | H19 | 108.7° | 109.5° |
| C34 | C37 | H20 | 109.2° | 109.5° |
| C34 | C37 | H21 | 109.2° | 109.5° |
| C34 | C31 | C28 | 109.9° | 109.4° |
| C34 | C31 | H16 | 109.3° | 109.4° |
| C34 | C31 | H17 | 109.4° | 109.4° |
| C31 | C34 | H18 | 108.7° | 109.5° |
| C31 | C34 | H19 | 108.7° | 109.5° |
| C31 | C28 | C25 | 111.3° | 109.5° |
| C31 | C28 | H14 | 109.0° | 109.5° |
| C31 | C28 | H15 | 109.0° | 109.4° |
| C28 | C31 | H16 | 109.4° | 109.5° |
| C28 | C31 | H17 | 109.3° | 109.5° |
| C28 | C25 | C22 | 111.7° | 109.5° |
| C28 | C25 | H12 | 108.9° | 109.5° |
| C28 | C25 | H13 | 108.9° | 109.4° |
| C25 | C28 | H14 | 109.0° | 109.5° |
| C25 | C28 | H15 | 109.0° | 109.5° |
| C25 | C22 | C19 | 107.2° | 109.5° |
| C25 | C22 | H10 | 110.0° | 109.4° |
| C25 | C22 | H11 | 110.0° | 109.5° |
| C22 | C25 | H12 | 108.9° | 109.5° |
| C22 | C25 | H13 | 108.9° | 109.5° |
| C22 | C19 | C18 | 109.3° | 109.5° |
| C22 | C19 | H8 | 109.5° | 109.5° |
| C22 | C19 | H9 | 109.5° | 109.5° |
| C19 | C22 | H10 | 110.0° | 109.5° |
| C19 | C22 | H11 | 110.0° | 109.5° |
| O61 | C57 | C4 | 107.1° | 109.5° |
| O61 | C57 | H29 | 110.1° | 109.4° |
| O61 | C57 | H30 | 110.0° | 109.5° |
| C57 | O61 | H31 | 109.5° | 114.0° |
| O4 | C7 | C5 | 110.9° | 109.5° |
| O4 | C7 | C8 | 110.8° | 109.5° |
| O4 | C7 | H33 | 111.1° | 109.7° |
| C7 | O4 | H39 | 109.5° | 114.0° |
| C19 | C18 | O16 | 106.4° | 109.5° |
| C19 | C18 | H6 | 110.2° | 109.4° |
| C19 | C18 | H7 | 110.2° | 109.5° |
| C18 | C19 | H8 | 109.5° | 109.4° |
| C18 | C19 | H9 | 109.5° | 109.4° |
| C18 | O16 | C6 | 110.4° | 114.0° |
| O16 | C18 | H6 | 110.2° | 109.5° |
| O16 | C18 | H7 | 110.2° | 109.5° |
| C6 | O5 | C4 | 115.2° | 114.1° |
| O5 | C6 | O16 | 109.3° | 109.5° |
| O5 | C6 | C1 | 108.7° | 109.4° |
| O5 | C6 | H5 | 109.9° | 109.5° |
| O5 | C4 | C57 | 109.8° | 109.4° |
| O5 | C4 | C3 | 116.0° | 109.4° |
| O5 | C4 | H4 | 105.6° | 109.5° |
| C57 | C4 | C3 | 115.2° | 109.5° |
| C57 | C4 | H4 | 104.6° | 109.5° |
| C4 | C57 | H29 | 110.1° | 109.5° |
| C4 | C57 | H30 | 110.1° | 109.5° |
| O16 | C6 | C1 | 110.5° | 109.5° |
| O16 | C6 | H5 | 109.9° | 109.5° |
| C6 | C1 | O49 | 110.7° | 109.6° |
| C6 | C1 | C2 | 105.4° | 109.2° |
| C6 | C1 | H1 | 110.1° | 109.6° |
| C1 | C6 | H5 | 108.6° | 109.5° |
| C5 | C7 | C8 | 104.0° | 109.0° |
| C7 | C5 | C10 | 108.5° | 109.2° |
| C7 | C5 | O3 | 112.1° | 109.5° |
| C7 | C5 | H32 | 108.9° | 109.5° |
| C5 | C7 | H33 | 109.9° | 109.5° |
| C7 | C8 | C9 | 111.5° | 109.2° |
| C7 | C8 | O2 | 104.1° | 109.5° |
| C8 | C7 | H33 | 110.0° | 109.6° |
| C7 | C8 | H34 | 110.5° | 109.6° |
| C4 | C3 | O7 | 109.2° | 109.5° |
| C4 | C3 | C2 | 115.4° | 109.1° |
| C4 | C3 | H3 | 108.1° | 109.6° |
| C3 | C4 | H4 | 104.4° | 109.6° |
| C10 | O1 | C9 | 112.8° | 114.2° |
| O1 | C10 | C5 | 112.7° | 109.4° |
| O1 | C10 | O7 | 111.6° | 109.5° |
| O1 | C10 | H36 | 108.7° | 109.5° |
| O1 | C9 | C8 | 111.2° | 109.4° |
| O1 | C9 | C11 | 111.1° | 109.5° |
| O1 | C9 | H35 | 108.4° | 109.5° |
| C5 | C10 | O7 | 107.3° | 109.4° |
| C10 | C5 | O3 | 108.5° | 109.5° |
| C10 | C5 | H32 | 108.8° | 109.5° |
| C5 | C10 | H36 | 107.6° | 109.6° |
| C10 | O7 | C3 | 111.3° | 114.0° |
| O7 | C10 | H36 | 108.9° | 109.4° |
| O3 | C5 | H32 | 109.9° | 109.5° |
| C5 | O3 | H38 | 109.5° | 114.0° |
| O49 | C1 | C2 | 109.0° | 109.5° |
| O49 | C1 | H1 | 111.2° | 109.5° |
| C1 | O49 | H27 | 109.5° | 113.9° |
| C9 | C8 | O2 | 108.8° | 109.5° |
| C8 | C9 | C11 | 111.7° | 109.5° |
| C9 | C8 | H34 | 110.2° | 109.5° |
| C8 | C9 | H35 | 107.1° | 109.5° |
| O2 | C8 | H34 | 111.6° | 109.6° |
| C8 | O2 | H37 | 109.5° | 114.0° |
| C1 | C2 | C3 | 106.1° | 109.1° |
| C1 | C2 | O55 | 109.1° | 109.5° |
| C2 | C1 | H1 | 110.2° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.6° |
| C9 | C11 | O6 | 109.3° | 109.5° |
| C11 | C9 | H35 | 107.1° | 109.5° |
| C9 | C11 | H40 | 109.5° | 109.5° |
| C9 | C11 | H41 | 109.5° | 109.5° |
| O6 | C11 | H40 | 109.5° | 109.4° |
| O6 | C11 | H41 | 109.5° | 109.4° |
| C11 | O6 | H42 | 109.5° | 114.0° |
| O7 | C3 | C2 | 106.2° | 109.5° |
| O7 | C3 | H3 | 109.6° | 109.5° |
| C3 | C2 | O55 | 112.8° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.6° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| O55 | C2 | H2 | 110.3° | 109.5° |
| C2 | O55 | H28 | 109.5° | 114.0° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H18 | C34 | H19 | 109.5° | 109.5° |
| H20 | C37 | H21 | 109.5° | 109.5° |
| H22 | C40 | H23 | 109.5° | 109.5° |
| H24 | C43 | H25 | 109.4° | 109.5° |
| H24 | C43 | H26 | 109.5° | 109.5° |
| H25 | C43 | H26 | 109.5° | 109.4° |
| H29 | C57 | H30 | 109.5° | 109.5° |
| H40 | C11 | H41 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C40 | C43 | H22 | 120.4° | 120.0° |
| C37 | C40 | C43 | H23 | 120.3° | 120.0° |
| C40 | C37 | C34 | H20 | 120.2° | 120.0° |
| C40 | C37 | C34 | H21 | 120.2° | 120.0° |
| C40 | C37 | C34 | C31 | 147.7° | NaN° |
| C40 | C37 | C34 | H18 | 91.8° | 60.0° |
| C40 | C37 | C34 | H19 | 27.3° | 60.0° |
| C40 | C37 | H20 | H21 | 119.5° | 120.0° |
| C37 | C40 | H22 | H23 | 118.9° | 120.0° |
| C37 | C40 | C43 | H24 | 180.0° | 60.0° |
| C37 | C40 | C43 | H25 | 60.0° | 60.0° |
| C37 | C40 | C43 | H26 | 60.0° | 180.0° |
| C43 | C40 | C37 | C34 | 56.7° | 179.9° |
| C43 | C40 | C37 | H20 | 63.5° | 60.0° |
| C43 | C40 | C37 | H21 | 176.9° | 60.0° |
| C43 | C40 | H22 | H23 | 118.9° | 120.0° |
| C40 | C43 | H24 | H25 | 120.0° | 120.0° |
| C40 | C43 | H24 | H26 | 120.0° | 120.0° |
| C40 | C43 | H25 | H26 | 120.0° | 120.0° |
| C37 | C34 | C31 | H18 | 120.4° | 119.9° |
| C37 | C34 | C31 | H19 | 120.4° | 120.0° |
| C37 | C34 | C31 | C28 | 135.9° | 179.9° |
| C37 | C34 | C31 | H16 | 15.9° | 60.0° |
| C37 | C34 | C31 | H17 | 104.0° | 59.9° |
| C37 | C34 | H18 | H19 | 118.7° | 120.0° |
| C34 | C37 | H20 | H21 | 119.5° | 120.1° |
| C34 | C37 | C40 | H22 | 63.7° | 60.1° |
| C34 | C37 | C40 | H23 | 177.0° | 60.0° |
| C34 | C31 | C28 | H16 | 120.1° | 120.0° |
| C34 | C31 | C28 | H17 | 120.1° | 120.0° |
| C34 | C31 | C28 | C25 | 164.5° | 180.0° |
| C34 | C31 | C28 | H14 | 75.2° | 60.0° |
| C34 | C31 | C28 | H15 | 44.2° | 60.0° |
| C34 | C31 | H16 | H17 | 119.8° | 120.0° |
| C31 | C34 | H18 | H19 | 118.7° | 120.0° |
| C31 | C34 | C37 | H20 | 27.6° | 60.0° |
| C31 | C34 | C37 | H21 | 92.1° | 60.0° |
| C31 | C28 | C25 | H14 | 120.3° | 120.0° |
| C31 | C28 | C25 | H15 | 120.3° | 120.0° |
| C31 | C28 | C25 | C22 | 71.9° | 180.0° |
| C31 | C28 | C25 | H12 | 167.8° | 59.9° |
| C31 | C28 | C25 | H13 | 48.5° | 60.0° |
| C31 | C28 | H14 | H15 | 119.1° | 120.0° |
| C28 | C31 | H16 | H17 | 119.8° | 120.1° |
| C28 | C31 | C34 | H18 | 103.6° | 60.0° |
| C28 | C31 | C34 | H19 | 15.5° | 60.0° |
| C28 | C25 | C22 | H12 | 120.3° | 120.0° |
| C28 | C25 | C22 | H13 | 120.4° | 120.0° |
| C28 | C25 | C22 | C19 | 155.3° | 180.0° |
| C28 | C25 | C22 | H10 | 85.1° | 60.0° |
| C28 | C25 | C22 | H11 | 35.6° | 60.0° |
| C28 | C25 | H12 | H13 | 119.0° | 119.9° |
| C25 | C28 | H14 | H15 | 119.2° | 120.0° |
| C25 | C28 | C31 | H16 | 44.4° | 60.0° |
| C25 | C28 | C31 | H17 | 75.4° | 60.1° |
| C25 | C22 | C19 | H10 | 119.6° | 120.0° |
| C25 | C22 | C19 | H11 | 119.6° | 120.0° |
| C25 | C22 | C19 | C18 | 175.7° | 180.0° |
| C25 | C22 | C19 | H8 | 55.7° | 60.0° |
| C25 | C22 | C19 | H9 | 64.3° | 60.0° |
| C25 | C22 | H10 | H11 | 121.0° | 120.0° |
| C22 | C25 | H12 | H13 | 119.0° | 120.0° |
| C22 | C25 | C28 | H14 | 48.4° | 60.0° |
| C22 | C25 | C28 | H15 | 167.9° | 60.0° |
| C22 | C19 | C18 | H8 | 120.0° | 120.0° |
| C22 | C19 | C18 | H9 | 120.0° | 120.0° |
| C22 | C19 | C18 | O16 | 158.2° | 180.0° |
| C22 | C19 | C18 | H6 | 82.2° | 60.0° |
| C22 | C19 | C18 | H7 | 38.7° | 60.0° |
| C22 | C19 | H8 | H9 | 120.1° | 120.0° |
| C19 | C22 | H10 | H11 | 121.1° | 120.0° |
| C19 | C22 | C25 | H12 | 34.9° | 60.0° |
| C19 | C22 | C25 | H13 | 84.4° | 60.0° |
| O61 | C57 | C4 | O5 | 40.6° | 64.2° |
| O61 | C57 | C4 | H29 | 119.6° | 120.0° |
| O61 | C57 | C4 | H30 | 119.6° | 120.0° |
| O61 | C57 | C4 | C3 | 173.8° | 175.9° |
| O61 | C57 | C4 | H4 | 72.2° | 55.8° |
| O61 | C57 | H29 | H30 | 121.1° | 120.0° |
| O4 | C7 | C5 | C8 | 119.1° | 119.8° |
| O4 | C7 | C5 | H33 | 123.3° | 120.3° |
| O4 | C7 | C8 | H33 | 123.2° | 120.3° |
| O4 | C7 | C5 | C10 | 50.6° | 176.8° |
| O4 | C7 | C5 | O3 | 170.5° | 63.3° |
| O4 | C7 | C8 | C9 | 65.2° | 176.9° |
| O4 | C7 | C8 | O2 | 177.7° | 63.3° |
| O4 | C7 | C5 | H32 | 67.7° | 56.8° |
| O4 | C7 | C8 | H34 | 57.7° | 56.9° |
| C19 | C18 | O16 | H6 | 119.5° | 120.0° |
| C19 | C18 | O16 | H7 | 119.5° | 120.0° |
| C19 | C18 | O16 | C6 | 153.6° | 180.0° |
| C19 | C18 | H6 | H7 | 121.4° | 120.0° |
| C18 | C19 | H8 | H9 | 120.1° | 120.0° |
| C18 | C19 | C22 | H10 | 64.7° | 60.0° |
| C18 | C19 | C22 | H11 | 56.1° | 60.0° |
| C18 | O16 | C6 | O5 | 55.0° | 65.0° |
| C18 | O16 | C6 | C1 | 174.5° | 175.1° |
| C18 | O16 | C6 | H5 | 65.7° | 55.0° |
| O16 | C18 | H6 | H7 | 121.4° | 120.0° |
| O16 | C18 | C19 | H8 | 38.3° | 60.0° |
| O16 | C18 | C19 | H9 | 81.8° | 60.0° |
| C6 | O5 | C4 | C57 | 98.5° | 178.8° |
| O5 | C6 | O16 | C1 | 119.5° | 119.9° |
| O5 | C6 | O16 | H5 | 120.7° | 120.0° |
| O5 | C6 | C1 | H5 | 119.6° | 120.0° |
| C6 | O5 | C4 | C3 | 34.3° | 61.2° |
| O5 | C6 | C1 | O49 | 43.9° | 177.5° |
| O5 | C6 | C1 | C2 | 73.8° | 57.6° |
| O5 | C6 | C1 | H1 | 167.3° | 62.3° |
| C6 | O5 | C4 | H4 | 149.3° | 58.8° |
| O5 | C4 | C57 | C3 | 133.2° | 119.9° |
| O5 | C4 | C57 | H4 | 112.9° | 120.0° |
| C4 | O5 | C6 | O16 | 64.3° | 178.8° |
| C4 | O5 | C6 | C1 | 56.3° | 61.2° |
| O5 | C4 | C3 | H4 | 115.7° | 120.0° |
| O5 | C4 | C3 | O7 | 89.6° | 177.5° |
| O5 | C4 | C3 | C2 | 29.8° | 57.7° |
| O5 | C4 | C3 | H3 | 151.2° | 62.3° |
| C4 | O5 | C6 | H5 | 175.0° | 58.8° |
| O5 | C4 | C57 | H29 | 79.0° | 175.8° |
| O5 | C4 | C57 | H30 | 160.2° | 55.8° |
| C57 | C4 | C3 | H4 | 114.1° | 120.1° |
| C57 | C4 | C3 | O7 | 140.2° | 62.6° |
| C57 | C4 | C3 | C2 | 100.4° | 177.6° |
| C57 | C4 | C3 | H3 | 21.0° | 57.7° |
| C4 | C57 | H29 | H30 | 121.1° | 120.0° |
| C4 | C57 | O61 | H31 | 180.0° | 180.0° |
| O16 | C6 | C1 | H5 | 120.5° | 120.1° |
| O16 | C6 | C1 | O49 | 163.8° | 62.5° |
| O16 | C6 | C1 | C2 | 46.1° | 177.6° |
| O16 | C6 | C1 | H1 | 72.8° | 57.6° |
| C6 | O16 | C18 | H6 | 86.9° | 60.0° |
| C6 | O16 | C18 | H7 | 34.1° | 60.0° |
| C6 | C1 | O49 | C2 | 115.5° | 119.7° |
| C6 | C1 | O49 | H1 | 122.7° | 120.2° |
| C6 | C1 | C2 | H1 | 118.8° | 119.9° |
| C6 | C1 | C2 | C3 | 66.5° | 57.0° |
| C6 | C1 | C2 | O55 | 55.2° | 176.9° |
| C6 | C1 | C2 | H2 | 176.0° | 63.0° |
| C6 | C1 | O49 | H27 | 180.0° | 60.3° |
| C5 | C7 | C8 | H33 | 117.6° | 119.8° |
| C7 | C5 | C10 | O1 | 20.9° | 57.5° |
| C7 | C5 | C10 | O3 | 122.1° | 119.9° |
| C7 | C5 | C10 | H32 | 118.4° | 120.0° |
| C7 | C5 | C10 | O7 | 144.1° | 62.4° |
| C7 | C5 | O3 | H32 | 121.3° | 120.1° |
| C5 | C7 | C8 | C9 | 54.0° | 57.0° |
| C5 | C7 | C8 | O2 | 63.1° | 176.9° |
| C5 | C7 | C8 | H34 | 176.9° | 62.9° |
| C7 | C5 | C10 | H36 | 98.9° | 177.6° |
| C7 | C5 | O3 | H38 | 180.0° | 179.9° |
| C5 | C7 | O4 | H39 | 180.0° | 60.1° |
| C7 | C8 | C9 | O1 | 6.3° | 57.7° |
| C8 | C7 | C5 | C10 | 68.4° | 57.0° |
| C8 | C7 | C5 | O3 | 51.4° | 176.9° |
| C7 | C8 | C9 | O2 | 114.2° | 119.8° |
| C7 | C8 | C9 | H34 | 123.1° | 120.0° |
| C7 | C8 | O2 | H34 | 119.2° | 120.2° |
| C7 | C8 | C9 | C11 | 131.2° | 177.6° |
| C8 | C7 | C5 | H32 | 173.3° | 63.0° |
| C7 | C8 | C9 | H35 | 111.9° | 62.3° |
| C7 | C8 | O2 | H37 | 180.0° | 60.0° |
| C8 | C7 | O4 | H39 | 65.1° | 179.6° |
| C4 | C3 | O7 | C10 | 11.5° | 155.1° |
| C4 | C3 | C2 | C1 | 46.2° | 57.0° |
| C4 | C3 | O7 | C2 | 125.0° | 119.6° |
| C4 | C3 | O7 | H3 | 118.2° | 120.3° |
| C4 | C3 | C2 | H3 | 121.3° | 120.0° |
| C4 | C3 | C2 | O55 | 73.2° | 176.9° |
| C4 | C3 | C2 | H2 | 163.8° | 62.9° |
| C3 | C4 | C57 | H29 | 54.2° | 55.9° |
| C3 | C4 | C57 | H30 | 66.6° | 64.1° |
| O1 | C10 | C5 | O7 | 123.2° | 119.9° |
| O1 | C10 | C5 | H36 | 119.8° | 120.1° |
| O1 | C10 | O7 | H36 | 120.0° | 120.1° |
| O1 | C10 | C5 | O3 | 101.2° | 177.4° |
| C10 | O1 | C9 | C8 | 58.1° | 61.1° |
| C10 | O1 | C9 | C11 | 176.7° | 178.9° |
| O1 | C10 | O7 | C3 | 155.1° | 72.4° |
| O1 | C10 | C5 | H32 | 139.3° | 62.5° |
| C10 | O1 | C9 | H35 | 59.3° | 58.9° |
| C9 | O1 | C10 | C5 | 43.3° | 61.0° |
| C9 | O1 | C10 | O7 | 77.5° | 58.8° |
| O1 | C9 | C8 | C11 | 124.8° | 120.0° |
| O1 | C9 | C8 | H35 | 118.2° | 119.9° |
| O1 | C9 | C8 | O2 | 120.6° | 177.5° |
| O1 | C9 | C11 | H35 | 118.2° | 120.0° |
| O1 | C9 | C11 | O6 | 159.7° | 65.1° |
| O1 | C9 | C8 | H34 | 116.8° | 62.3° |
| C9 | O1 | C10 | H36 | 162.4° | 178.8° |
| O1 | C9 | C11 | H40 | 80.3° | 174.9° |
| O1 | C9 | C11 | H41 | 39.7° | 55.0° |
| C5 | C10 | O7 | H36 | 116.2° | 120.1° |
| C10 | C5 | O3 | H32 | 118.8° | 120.1° |
| C5 | C10 | O7 | C3 | 81.0° | 167.7° |
| C10 | C5 | C7 | H33 | 173.9° | 62.9° |
| C10 | C5 | O3 | H38 | 60.2° | 60.1° |
| O7 | C10 | C5 | O3 | 22.0° | 57.5° |
| C10 | O7 | C3 | C2 | 136.4° | 85.2° |
| C10 | O7 | C3 | H3 | 106.7° | 34.9° |
| O7 | C10 | C5 | H32 | 97.5° | 177.6° |
| O3 | C5 | C7 | H33 | 66.3° | 57.0° |
| O3 | C5 | C10 | H36 | 139.1° | 62.5° |
| O49 | C1 | C2 | H1 | 122.3° | 120.1° |
| O49 | C1 | C2 | C3 | 52.4° | 177.0° |
| O49 | C1 | C2 | O55 | 174.1° | 63.2° |
| O49 | C1 | C2 | H2 | 65.1° | 57.0° |
| O49 | C1 | C6 | H5 | 75.6° | 57.5° |
| C9 | C8 | O2 | H34 | 121.8° | 120.1° |
| C8 | C9 | C11 | H35 | 116.9° | 120.1° |
| C8 | C9 | C11 | O6 | 75.4° | 175.0° |
| C9 | C8 | C7 | H33 | 171.6° | 62.8° |
| C9 | C8 | O2 | H37 | 61.0° | 179.7° |
| C8 | C9 | C11 | H40 | 44.6° | 55.0° |
| C8 | C9 | C11 | H41 | 164.6° | 65.0° |
| O2 | C8 | C9 | C11 | 114.6° | 62.6° |
| O2 | C8 | C7 | H33 | 54.5° | 57.0° |
| O2 | C8 | C9 | H35 | 2.4° | 57.5° |
| C1 | C2 | C3 | O7 | 74.8° | 176.9° |
| C1 | C2 | C3 | O55 | 119.4° | 119.9° |
| C1 | C2 | C3 | H2 | 117.6° | 120.0° |
| C1 | C2 | O55 | H2 | 120.2° | 120.2° |
| C1 | C2 | C3 | H3 | 167.5° | 63.0° |
| C2 | C1 | C6 | H5 | 166.6° | 62.4° |
| C2 | C1 | O49 | H27 | 64.5° | 180.0° |
| C1 | C2 | O55 | H28 | 180.0° | 60.0° |
| C9 | C11 | O6 | H40 | 120.0° | 120.0° |
| C9 | C11 | O6 | H41 | 120.0° | 120.1° |
| C11 | C9 | C8 | H34 | 8.1° | 57.6° |
| C9 | C11 | H40 | H41 | 120.1° | 120.1° |
| C9 | C11 | O6 | H42 | 180.0° | 180.0° |
| O6 | C11 | C9 | H35 | 41.5° | 54.9° |
| O6 | C11 | H40 | H41 | 120.1° | 119.9° |
| O7 | C3 | C2 | H3 | 117.7° | 120.1° |
| O7 | C3 | C2 | O55 | 165.7° | 63.2° |
| O7 | C3 | C2 | H2 | 42.8° | 56.9° |
| O7 | C3 | C4 | H4 | 26.1° | 57.5° |
| C3 | O7 | C10 | H36 | 35.2° | 47.7° |
| C3 | C2 | O55 | H2 | 122.2° | 120.3° |
| C3 | C2 | C1 | H1 | 174.7° | 62.9° |
| C2 | C3 | C4 | H4 | 145.5° | 62.3° |
| C3 | C2 | O55 | H28 | 62.4° | 179.6° |
| O55 | C2 | C1 | H1 | 63.5° | 56.9° |
| O55 | C2 | C3 | H3 | 48.1° | 56.9° |
| H1 | C1 | C2 | H2 | 57.2° | 177.1° |
| H1 | C1 | C6 | H5 | 47.7° | 177.7° |
| H1 | C1 | O49 | H27 | 57.2° | 59.9° |
| H2 | C2 | C3 | H3 | 74.9° | 177.1° |
| H2 | C2 | O55 | H28 | 59.8° | 60.2° |
| H3 | C3 | C4 | H4 | 93.1° | 177.7° |
| H4 | C4 | C57 | H29 | 168.1° | 64.2° |
| H4 | C4 | C57 | H30 | 47.4° | 175.8° |
| H6 | C18 | C19 | H8 | 157.8° | 180.0° |
| H6 | C18 | C19 | H9 | 37.7° | 60.0° |
| H7 | C18 | C19 | H8 | 81.2° | 60.0° |
| H7 | C18 | C19 | H9 | 158.7° | 180.0° |
| H8 | C19 | C22 | H10 | 175.3° | 180.0° |
| H8 | C19 | C22 | H11 | 63.9° | 60.0° |
| H9 | C19 | C22 | H10 | 55.3° | 60.0° |
| H9 | C19 | C22 | H11 | 176.0° | 180.0° |
| H10 | C22 | C25 | H12 | 154.6° | 180.0° |
| H10 | C22 | C25 | H13 | 35.2° | 60.0° |
| H11 | C22 | C25 | H12 | 84.7° | 60.1° |
| H11 | C22 | C25 | H13 | 156.0° | 179.9° |
| H12 | C25 | C28 | H14 | 71.9° | 179.9° |
| H12 | C25 | C28 | H15 | 47.6° | 60.0° |
| H13 | C25 | C28 | H14 | 168.7° | 60.0° |
| H13 | C25 | C28 | H15 | 71.8° | 180.0° |
| H14 | C28 | C31 | H16 | 164.7° | 180.0° |
| H14 | C28 | C31 | H17 | 44.8° | 60.0° |
| H15 | C28 | C31 | H16 | 75.8° | 60.0° |
| H15 | C28 | C31 | H17 | 164.3° | 180.0° |
| H16 | C31 | C34 | H18 | 136.3° | 180.0° |
| H16 | C31 | C34 | H19 | 104.6° | 60.0° |
| H17 | C31 | C34 | H18 | 16.4° | 60.0° |
| H17 | C31 | C34 | H19 | 135.6° | 180.0° |
| H18 | C34 | C37 | H20 | 148.0° | 180.0° |
| H18 | C34 | C37 | H21 | 28.3° | 60.0° |
| H19 | C34 | C37 | H20 | 92.9° | 60.0° |
| H19 | C34 | C37 | H21 | 147.5° | 180.0° |
| H20 | C37 | C40 | H22 | 176.2° | 179.9° |
| H20 | C37 | C40 | H23 | 56.9° | 60.0° |
| H21 | C37 | C40 | H22 | 56.5° | 60.0° |
| H21 | C37 | C40 | H23 | 62.8° | 180.0° |
| H22 | C40 | C43 | H24 | 59.6° | 180.0° |
| H22 | C40 | C43 | H25 | 179.6° | 60.0° |
| H22 | C40 | C43 | H26 | 60.4° | 60.0° |
| H23 | C40 | C43 | H24 | 59.7° | 60.0° |
| H23 | C40 | C43 | H25 | 60.3° | 180.0° |
| H23 | C40 | C43 | H26 | 179.7° | 60.0° |
| H24 | C43 | H25 | H26 | 120.0° | 119.9° |
| H29 | C57 | O61 | H31 | 60.4° | 60.0° |
| H30 | C57 | O61 | H31 | 60.4° | 60.0° |
| H32 | C5 | C7 | H33 | 55.6° | 177.1° |
| H32 | C5 | C10 | H36 | 19.5° | 57.6° |
| H32 | C5 | O3 | H38 | 58.7° | 60.0° |
| H33 | C7 | C8 | H34 | 65.5° | 177.3° |
| H33 | C7 | O4 | H39 | 57.5° | 60.1° |
| H34 | C8 | C9 | H35 | 125.0° | 177.7° |
| H34 | C8 | O2 | H37 | 60.8° | 60.2° |
| H35 | C9 | C11 | H40 | 161.5° | 65.0° |
| H35 | C9 | C11 | H41 | 78.5° | 175.0° |
| H40 | C11 | O6 | H42 | 60.0° | 60.0° |
| H41 | C11 | O6 | H42 | 60.0° | 60.0° |
