PS1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | sing | 1.54Å | 1.59Å | |
| O2 | P1 | doub | 1.55Å | 1.58Å | |
| P1 | O3 | sing | 1.61Å | 1.60Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| O3 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C1 | H2 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O4 | doub | 1.21Å | 1.21Å | |
| C3 | O5 | sing | 1.34Å | 1.34Å | |
| O5 | H4 | sing | 0.97Å | 0.97Å | |
| N1 | H5 | sing | 1.01Å | 1.02Å | |
| N1 | H6 | sing | 1.01Å | 1.02Å | |
| O6 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H7 | sing | 1.09Å | 1.11Å | |
| C4 | H8 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O9 | sing | 1.45Å | 1.41Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | O7 | sing | 1.45Å | 1.41Å | |
| C6 | H10 | sing | 1.09Å | 1.11Å | |
| C6 | H11 | sing | 1.09Å | 1.11Å | |
| O7 | C7 | sing | 1.34Å | 1.34Å | |
| C7 | O8 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H12 | sing | 1.09Å | 1.11Å | |
| C8 | H13 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H14 | sing | 1.09Å | 1.11Å | |
| C9 | H15 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.11Å | |
| C10 | H17 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H18 | sing | 1.09Å | 1.11Å | |
| C11 | H19 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H20 | sing | 1.09Å | 1.11Å | |
| C12 | H21 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H22 | sing | 1.09Å | 1.11Å | |
| C13 | H23 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H24 | sing | 1.09Å | 1.11Å | |
| C14 | H25 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H26 | sing | 1.09Å | 1.11Å | |
| C15 | H27 | sing | 1.09Å | 1.11Å | |
| C16 | H28 | sing | 1.09Å | 1.11Å | |
| C16 | H29 | sing | 1.09Å | 1.11Å | |
| C16 | H30 | sing | 1.09Å | 1.11Å | |
| O9 | C17 | sing | 1.34Å | 1.35Å | |
| C17 | O10 | doub | 1.21Å | 1.21Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H31 | sing | 1.09Å | 1.11Å | |
| C18 | H32 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H33 | sing | 1.09Å | 1.11Å | |
| C19 | H34 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H35 | sing | 1.09Å | 1.11Å | |
| C20 | H36 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H37 | sing | 1.09Å | 1.11Å | |
| C21 | H38 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H39 | sing | 1.09Å | 1.11Å | |
| C22 | H40 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H41 | sing | 1.09Å | 1.11Å | |
| C23 | H42 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H43 | sing | 1.09Å | 1.11Å | |
| C24 | H44 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H45 | sing | 1.09Å | 1.11Å | |
| C25 | H46 | sing | 1.09Å | 1.11Å | |
| C26 | H47 | sing | 1.09Å | 1.11Å | |
| C26 | H48 | sing | 1.09Å | 1.11Å | |
| C26 | H49 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 89.1° | 109.5° |
| O1 | P1 | O3 | 113.2° | 109.5° |
| O1 | P1 | O6 | 114.8° | 109.5° |
| O2 | P1 | O3 | 114.4° | 109.5° |
| O2 | P1 | O6 | 114.0° | 109.5° |
| O3 | P1 | O6 | 110.1° | 109.5° |
| P1 | O3 | C1 | 119.3° | 106.8° |
| P1 | O6 | C4 | 118.3° | 106.8° |
| O3 | C1 | C2 | 110.5° | 109.5° |
| O3 | C1 | H1 | 108.5° | 109.4° |
| O3 | C1 | H2 | 108.5° | 109.5° |
| C2 | C1 | H1 | 112.0° | 109.5° |
| C2 | C1 | H2 | 112.0° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C1 | C2 | N1 | 108.5° | 109.5° |
| C1 | C2 | H3 | 111.1° | 109.5° |
| H1 | C1 | H2 | 105.0° | 109.4° |
| C3 | C2 | N1 | 110.8° | 109.5° |
| C3 | C2 | H3 | 107.8° | 109.4° |
| C2 | C3 | O4 | 126.6° | 120.0° |
| C2 | C3 | O5 | 111.4° | 120.0° |
| N1 | C2 | H3 | 106.9° | 109.5° |
| C2 | N1 | H5 | 111.0° | 106.7° |
| C2 | N1 | H6 | 108.8° | 106.7° |
| O4 | C3 | O5 | 122.0° | 120.0° |
| C3 | O5 | H4 | 116.6° | 120.0° |
| H5 | N1 | H6 | 105.1° | 106.6° |
| O6 | C4 | C5 | 107.6° | 109.4° |
| O6 | C4 | H7 | 109.4° | 109.5° |
| O6 | C4 | H8 | 109.4° | 109.5° |
| C5 | C4 | H7 | 112.6° | 109.5° |
| C5 | C4 | H8 | 112.7° | 109.5° |
| C4 | C5 | C6 | 117.2° | 109.5° |
| C4 | C5 | O9 | 113.5° | 109.5° |
| C4 | C5 | H9 | 105.1° | 109.5° |
| H7 | C4 | H8 | 105.1° | 109.5° |
| C6 | C5 | O9 | 113.7° | 109.5° |
| C6 | C5 | H9 | 104.8° | 109.4° |
| C5 | C6 | O7 | 109.4° | 109.5° |
| C5 | C6 | H10 | 112.4° | 109.5° |
| C5 | C6 | H11 | 112.5° | 109.5° |
| O9 | C5 | H9 | 100.3° | 109.4° |
| C5 | O9 | C17 | 132.7° | 120.0° |
| O7 | C6 | H10 | 108.6° | 109.4° |
| O7 | C6 | H11 | 108.6° | 109.5° |
| C6 | O7 | C7 | 128.0° | 120.0° |
| H10 | C6 | H11 | 105.1° | 109.5° |
| O7 | C7 | O8 | 120.2° | 120.0° |
| O7 | C7 | C8 | 115.5° | 120.0° |
| O8 | C7 | C8 | 124.3° | 120.0° |
| C7 | C8 | C9 | 113.9° | 109.5° |
| C7 | C8 | H12 | 109.0° | 109.5° |
| C7 | C8 | H13 | 109.0° | 109.4° |
| C9 | C8 | H12 | 109.7° | 109.5° |
| C9 | C8 | H13 | 109.8° | 109.5° |
| C8 | C9 | C10 | 114.2° | 109.4° |
| C8 | C9 | H14 | 109.3° | 109.5° |
| C8 | C9 | H15 | 109.3° | 109.4° |
| H12 | C8 | H13 | 105.1° | 109.5° |
| C10 | C9 | H14 | 109.3° | 109.5° |
| C10 | C9 | H15 | 109.3° | 109.5° |
| C9 | C10 | C11 | 113.3° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C10 | H17 | 109.4° | 109.5° |
| H14 | C9 | H15 | 105.1° | 109.5° |
| C11 | C10 | H16 | 109.7° | 109.5° |
| C11 | C10 | H17 | 109.6° | 109.4° |
| C10 | C11 | C12 | 113.5° | 109.5° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| H16 | C10 | H17 | 105.0° | 109.5° |
| C12 | C11 | H18 | 109.5° | 109.5° |
| C12 | C11 | H19 | 109.5° | 109.5° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C11 | C12 | H20 | 109.8° | 109.5° |
| C11 | C12 | H21 | 109.8° | 109.5° |
| H18 | C11 | H19 | 105.0° | 109.4° |
| C13 | C12 | H20 | 109.8° | 109.5° |
| C13 | C12 | H21 | 109.9° | 109.5° |
| C12 | C13 | C14 | 113.1° | 109.5° |
| C12 | C13 | H22 | 109.7° | 109.5° |
| C12 | C13 | H23 | 109.6° | 109.5° |
| H20 | C12 | H21 | 105.0° | 109.4° |
| C14 | C13 | H22 | 109.5° | 109.5° |
| C14 | C13 | H23 | 109.6° | 109.4° |
| C13 | C14 | C15 | 115.6° | 109.5° |
| C13 | C14 | H24 | 108.9° | 109.5° |
| C13 | C14 | H25 | 108.8° | 109.4° |
| H22 | C13 | H23 | 105.0° | 109.5° |
| C15 | C14 | H24 | 108.9° | 109.5° |
| C15 | C14 | H25 | 109.0° | 109.5° |
| C14 | C15 | C16 | 114.0° | 109.4° |
| C14 | C15 | H26 | 109.2° | 109.5° |
| C14 | C15 | H27 | 109.3° | 109.4° |
| H24 | C14 | H25 | 105.0° | 109.5° |
| C16 | C15 | H26 | 109.3° | 109.5° |
| C16 | C15 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 110.0° | 109.4° |
| C15 | C16 | H29 | 110.0° | 109.5° |
| C15 | C16 | H30 | 110.0° | 109.5° |
| H26 | C15 | H27 | 105.1° | 109.5° |
| H28 | C16 | H29 | 108.9° | 109.4° |
| H28 | C16 | H30 | 109.0° | 109.5° |
| H29 | C16 | H30 | 108.9° | 109.6° |
| O9 | C17 | O10 | 120.3° | 120.0° |
| O9 | C17 | C18 | 119.0° | 120.0° |
| O10 | C17 | C18 | 120.6° | 119.9° |
| C17 | C18 | C19 | 113.6° | 109.5° |
| C17 | C18 | H31 | 109.1° | 109.5° |
| C17 | C18 | H32 | 109.1° | 109.5° |
| C19 | C18 | H31 | 109.8° | 109.5° |
| C19 | C18 | H32 | 109.8° | 109.5° |
| C18 | C19 | C20 | 114.0° | 109.5° |
| C18 | C19 | H33 | 109.4° | 109.5° |
| C18 | C19 | H34 | 109.3° | 109.5° |
| H31 | C18 | H32 | 105.0° | 109.4° |
| C20 | C19 | H33 | 109.3° | 109.4° |
| C20 | C19 | H34 | 109.4° | 109.5° |
| C19 | C20 | C21 | 113.3° | 109.5° |
| C19 | C20 | H35 | 109.4° | 109.5° |
| C19 | C20 | H36 | 109.5° | 109.5° |
| H33 | C19 | H34 | 105.1° | 109.5° |
| C21 | C20 | H35 | 109.6° | 109.5° |
| C21 | C20 | H36 | 109.6° | 109.4° |
| C20 | C21 | C22 | 113.7° | 109.5° |
| C20 | C21 | H37 | 109.4° | 109.5° |
| C20 | C21 | H38 | 109.4° | 109.5° |
| H35 | C20 | H36 | 105.0° | 109.5° |
| C22 | C21 | H37 | 109.5° | 109.5° |
| C22 | C21 | H38 | 109.4° | 109.5° |
| C21 | C22 | C23 | 112.4° | 109.4° |
| C21 | C22 | H39 | 109.8° | 109.5° |
| C21 | C22 | H40 | 109.9° | 109.5° |
| H37 | C21 | H38 | 105.1° | 109.5° |
| C23 | C22 | H39 | 109.8° | 109.5° |
| C23 | C22 | H40 | 109.7° | 109.5° |
| C22 | C23 | C24 | 113.5° | 109.5° |
| C22 | C23 | H41 | 109.4° | 109.5° |
| C22 | C23 | H42 | 109.4° | 109.5° |
| H39 | C22 | H40 | 105.0° | 109.5° |
| C24 | C23 | H41 | 109.6° | 109.5° |
| C24 | C23 | H42 | 109.6° | 109.4° |
| C23 | C24 | C25 | 115.6° | 109.5° |
| C23 | C24 | H43 | 108.9° | 109.4° |
| C23 | C24 | H44 | 108.9° | 109.4° |
| H41 | C23 | H42 | 104.9° | 109.4° |
| C25 | C24 | H43 | 109.0° | 109.5° |
| C25 | C24 | H44 | 108.9° | 109.5° |
| C24 | C25 | C26 | 115.5° | 109.5° |
| C24 | C25 | H45 | 108.9° | 109.5° |
| C24 | C25 | H46 | 109.0° | 109.5° |
| H43 | C24 | H44 | 105.0° | 109.5° |
| C26 | C25 | H45 | 108.9° | 109.5° |
| C26 | C25 | H46 | 108.9° | 109.5° |
| C25 | C26 | H47 | 110.1° | 109.5° |
| C25 | C26 | H48 | 110.0° | 109.5° |
| C25 | C26 | H49 | 110.0° | 109.5° |
| H45 | C25 | H46 | 105.0° | 109.4° |
| H47 | C26 | H48 | 109.0° | 109.4° |
| H47 | C26 | H49 | 108.9° | 109.5° |
| H48 | C26 | H49 | 108.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 115.2° | 120.0° |
| O1 | P1 | O2 | O6 | 116.9° | 120.0° |
| O1 | P1 | O3 | O6 | 130.0° | 120.0° |
| O1 | P1 | O3 | C1 | 133.2° | 55.0° |
| O1 | P1 | O6 | C4 | 98.9° | 55.0° |
| O2 | P1 | O3 | O6 | 129.9° | 120.0° |
| O2 | P1 | O3 | C1 | 33.1° | 65.0° |
| O2 | P1 | O6 | C4 | 160.4° | 65.0° |
| P1 | O3 | C1 | C2 | 118.2° | 180.0° |
| P1 | O3 | C1 | H1 | 5.0° | 60.0° |
| P1 | O3 | C1 | H2 | 118.6° | 59.9° |
| O3 | P1 | O6 | C4 | 30.3° | 175.0° |
| O6 | P1 | O3 | C1 | 96.8° | 175.0° |
| P1 | O6 | C4 | C5 | 94.6° | 180.0° |
| P1 | O6 | C4 | H7 | 142.8° | 60.0° |
| P1 | O6 | C4 | H8 | 28.1° | 60.0° |
| O3 | C1 | C2 | H1 | 121.2° | 120.0° |
| O3 | C1 | C2 | H2 | 121.1° | 120.0° |
| O3 | C1 | H1 | H2 | 115.9° | 120.0° |
| O3 | C1 | C2 | C3 | 47.3° | 175.0° |
| O3 | C1 | C2 | N1 | 169.6° | 65.0° |
| O3 | C1 | C2 | H3 | 73.1° | 55.0° |
| C2 | C1 | H1 | H2 | 121.8° | 120.0° |
| C1 | C2 | C3 | N1 | 121.0° | 120.0° |
| C1 | C2 | C3 | H3 | 122.3° | 120.0° |
| C1 | C2 | N1 | H3 | 119.9° | 120.0° |
| C1 | C2 | C3 | O4 | 40.4° | 100.0° |
| C1 | C2 | C3 | O5 | 139.5° | 80.0° |
| C1 | C2 | N1 | H5 | 125.0° | 173.8° |
| C1 | C2 | N1 | H6 | 119.8° | 60.0° |
| H1 | C1 | C2 | C3 | 73.9° | 55.0° |
| H1 | C1 | C2 | N1 | 48.4° | 175.0° |
| H1 | C1 | C2 | H3 | 165.7° | 65.0° |
| H2 | C1 | C2 | C3 | 168.4° | 65.0° |
| H2 | C1 | C2 | N1 | 69.3° | 55.1° |
| H2 | C1 | C2 | H3 | 48.0° | 175.1° |
| C3 | C2 | N1 | H3 | 117.2° | 120.0° |
| C2 | C3 | O4 | O5 | 179.9° | 180.0° |
| C2 | C3 | O5 | H4 | 69.3° | 180.0° |
| C3 | C2 | N1 | H5 | 112.1° | 53.7° |
| C3 | C2 | N1 | H6 | 3.1° | 60.0° |
| N1 | C2 | C3 | O4 | 80.7° | 20.0° |
| N1 | C2 | C3 | O5 | 99.5° | 160.0° |
| C2 | N1 | H5 | H6 | 117.5° | 113.8° |
| H3 | C2 | C3 | O4 | 162.7° | 140.0° |
| H3 | C2 | C3 | O5 | 17.2° | 39.9° |
| H3 | C2 | N1 | H5 | 5.1° | 66.2° |
| H3 | C2 | N1 | H6 | 120.3° | 180.0° |
| O4 | C3 | O5 | H4 | 110.8° | 0.1° |
| O6 | C4 | C5 | H7 | 120.6° | 120.0° |
| O6 | C4 | C5 | H8 | 120.7° | 120.0° |
| O6 | C4 | H7 | H8 | 117.4° | 120.0° |
| O6 | C4 | C5 | C6 | 65.1° | 55.0° |
| O6 | C4 | C5 | O9 | 159.2° | 65.0° |
| O6 | C4 | C5 | H9 | 50.7° | 175.0° |
| C5 | C4 | H7 | H8 | 123.1° | 120.0° |
| C4 | C5 | C6 | O9 | 135.5° | 120.0° |
| C4 | C5 | C6 | H9 | 116.0° | 120.0° |
| C4 | C5 | O9 | H9 | 111.5° | 120.0° |
| C4 | C5 | C6 | O7 | 90.6° | 55.0° |
| C4 | C5 | C6 | H10 | 30.1° | 65.0° |
| C4 | C5 | C6 | H11 | 148.6° | 175.0° |
| C4 | C5 | O9 | C17 | 37.8° | 90.0° |
| H7 | C4 | C5 | C6 | 55.4° | 65.0° |
| H7 | C4 | C5 | O9 | 80.2° | 175.0° |
| H7 | C4 | C5 | H9 | 171.2° | 55.0° |
| H8 | C4 | C5 | C6 | 174.1° | 175.0° |
| H8 | C4 | C5 | O9 | 38.5° | 55.0° |
| H8 | C4 | C5 | H9 | 70.1° | 65.0° |
| C6 | C5 | O9 | H9 | 111.3° | 119.9° |
| C5 | C6 | O7 | H10 | 123.0° | 120.0° |
| C5 | C6 | O7 | H11 | 123.2° | 120.0° |
| C5 | C6 | H10 | H11 | 122.7° | 120.1° |
| C5 | C6 | O7 | C7 | 164.1° | 180.0° |
| C6 | C5 | O9 | C17 | 99.4° | 149.9° |
| O9 | C5 | C6 | O7 | 44.9° | 65.1° |
| O9 | C5 | C6 | H10 | 165.7° | 175.0° |
| O9 | C5 | C6 | H11 | 75.9° | 54.9° |
| C5 | O9 | C17 | O10 | 179.3° | 0.0° |
| C5 | O9 | C17 | C18 | 0.7° | 180.0° |
| H9 | C5 | C6 | O7 | 153.4° | 175.0° |
| H9 | C5 | C6 | H10 | 85.8° | 55.1° |
| H9 | C5 | C6 | H11 | 32.6° | 65.0° |
| H9 | C5 | O9 | C17 | 149.4° | 30.0° |
| O7 | C6 | H10 | H11 | 116.1° | 120.0° |
| C6 | O7 | C7 | O8 | 173.5° | 0.0° |
| C6 | O7 | C7 | C8 | 7.6° | 180.0° |
| H10 | C6 | O7 | C7 | 72.9° | 60.0° |
| H11 | C6 | O7 | C7 | 40.9° | 60.0° |
| O7 | C7 | O8 | C8 | 178.8° | 179.9° |
| O7 | C7 | C8 | C9 | 125.3° | 180.0° |
| O7 | C7 | C8 | H12 | 2.5° | 60.0° |
| O7 | C7 | C8 | H13 | 111.7° | 60.0° |
| O8 | C7 | C8 | C9 | 53.5° | 0.0° |
| O8 | C7 | C8 | H12 | 176.4° | 120.0° |
| O8 | C7 | C8 | H13 | 69.4° | 120.0° |
| C7 | C8 | C9 | H12 | 122.5° | 120.0° |
| C7 | C8 | C9 | H13 | 122.5° | 120.0° |
| C7 | C8 | H12 | H13 | 116.7° | 120.0° |
| C7 | C8 | C9 | C10 | 109.0° | 180.0° |
| C7 | C8 | C9 | H14 | 13.8° | 60.0° |
| C7 | C8 | C9 | H15 | 128.3° | 60.0° |
| C9 | C8 | H12 | H13 | 118.0° | 120.0° |
| C8 | C9 | C10 | H14 | 122.7° | 120.0° |
| C8 | C9 | C10 | H15 | 122.8° | 119.9° |
| C8 | C9 | H14 | H15 | 117.2° | 120.0° |
| C8 | C9 | C10 | C11 | 35.9° | 180.0° |
| C8 | C9 | C10 | H16 | 86.9° | 60.0° |
| C8 | C9 | C10 | H17 | 158.5° | 60.1° |
| H12 | C8 | C9 | C10 | 13.5° | 60.0° |
| H12 | C8 | C9 | H14 | 136.3° | 180.0° |
| H12 | C8 | C9 | H15 | 109.2° | 60.0° |
| H13 | C8 | C9 | C10 | 128.5° | 60.0° |
| H13 | C8 | C9 | H14 | 108.7° | 60.0° |
| H13 | C8 | C9 | H15 | 5.8° | 180.0° |
| C10 | C9 | H14 | H15 | 117.2° | 120.0° |
| C9 | C10 | C11 | H16 | 122.7° | 120.0° |
| C9 | C10 | C11 | H17 | 122.5° | 120.0° |
| C9 | C10 | H16 | H17 | 117.4° | 120.1° |
| C9 | C10 | C11 | C12 | 154.4° | 180.0° |
| C9 | C10 | C11 | H18 | 83.0° | 60.0° |
| C9 | C10 | C11 | H19 | 31.6° | 60.0° |
| H14 | C9 | C10 | C11 | 86.9° | 60.0° |
| H14 | C9 | C10 | H16 | 150.3° | 180.0° |
| H14 | C9 | C10 | H17 | 35.7° | 59.9° |
| H15 | C9 | C10 | C11 | 158.6° | 60.0° |
| H15 | C9 | C10 | H16 | 35.8° | 59.9° |
| H15 | C9 | C10 | H17 | 78.8° | NaN° |
| C11 | C10 | H16 | H17 | 117.7° | 120.0° |
| C10 | C11 | C12 | H18 | 122.6° | 120.0° |
| C10 | C11 | C12 | H19 | 122.7° | 120.1° |
| C10 | C11 | H18 | H19 | 117.5° | 120.0° |
| C10 | C11 | C12 | C13 | 158.6° | 180.0° |
| C10 | C11 | C12 | H20 | 78.9° | 60.0° |
| C10 | C11 | C12 | H21 | 36.1° | 59.9° |
| H16 | C10 | C11 | C12 | 82.9° | 60.0° |
| H16 | C10 | C11 | H18 | 39.7° | 180.0° |
| H16 | C10 | C11 | H19 | 154.3° | 60.1° |
| H17 | C10 | C11 | C12 | 31.8° | 60.0° |
| H17 | C10 | C11 | H18 | 154.5° | 60.0° |
| H17 | C10 | C11 | H19 | 90.9° | 180.0° |
| C12 | C11 | H18 | H19 | 117.5° | 120.0° |
| C11 | C12 | C13 | H20 | 122.5° | 120.0° |
| C11 | C12 | C13 | H21 | 122.5° | 120.1° |
| C11 | C12 | H20 | H21 | 118.0° | 120.0° |
| C11 | C12 | C13 | C14 | 93.5° | 180.0° |
| C11 | C12 | C13 | H22 | 143.9° | 60.0° |
| C11 | C12 | C13 | H23 | 29.1° | 60.0° |
| H18 | C11 | C12 | C13 | 78.8° | 60.0° |
| H18 | C11 | C12 | H20 | 43.7° | 180.0° |
| H18 | C11 | C12 | H21 | 158.7° | 60.1° |
| H19 | C11 | C12 | C13 | 35.9° | 60.0° |
| H19 | C11 | C12 | H20 | 158.3° | 60.1° |
| H19 | C11 | C12 | H21 | 86.6° | 180.0° |
| C13 | C12 | H20 | H21 | 118.1° | 120.0° |
| C12 | C13 | C14 | H22 | 122.7° | 120.0° |
| C12 | C13 | C14 | H23 | 122.7° | 120.0° |
| C12 | C13 | H22 | H23 | 117.7° | 120.0° |
| C12 | C13 | C14 | C15 | 56.6° | 180.0° |
| C12 | C13 | C14 | H24 | 179.5° | 60.0° |
| C12 | C13 | C14 | H25 | 66.5° | 60.0° |
| H20 | C12 | C13 | C14 | 144.0° | 60.0° |
| H20 | C12 | C13 | H22 | 21.4° | 180.0° |
| H20 | C12 | C13 | H23 | 93.3° | 60.0° |
| H21 | C12 | C13 | C14 | 29.0° | 60.0° |
| H21 | C12 | C13 | H22 | 93.6° | 60.1° |
| H21 | C12 | C13 | H23 | 151.7° | 179.9° |
| C14 | C13 | H22 | H23 | 117.6° | 119.9° |
| C13 | C14 | C15 | H24 | 122.9° | 120.0° |
| C13 | C14 | C15 | H25 | 123.0° | 119.9° |
| C13 | C14 | H24 | H25 | 116.5° | 119.9° |
| C13 | C14 | C15 | C16 | 92.2° | 180.0° |
| C13 | C14 | C15 | H26 | 145.2° | 60.0° |
| C13 | C14 | C15 | H27 | 30.7° | 60.1° |
| H22 | C13 | C14 | C15 | 179.3° | 59.9° |
| H22 | C13 | C14 | H24 | 57.8° | 180.0° |
| H22 | C13 | C14 | H25 | 56.2° | 60.0° |
| H23 | C13 | C14 | C15 | 66.1° | 60.0° |
| H23 | C13 | C14 | H24 | 56.8° | 60.0° |
| H23 | C13 | C14 | H25 | 170.8° | 180.0° |
| C15 | C14 | H24 | H25 | 116.7° | 120.0° |
| C14 | C15 | C16 | H26 | 122.5° | 120.0° |
| C14 | C15 | C16 | H27 | 122.8° | 119.9° |
| C14 | C15 | H26 | H27 | 117.2° | 120.0° |
| C14 | C15 | C16 | H28 | 21.9° | 180.0° |
| C14 | C15 | C16 | H29 | 98.1° | 60.1° |
| C14 | C15 | C16 | H30 | 141.9° | 60.0° |
| H24 | C14 | C15 | C16 | 144.9° | 60.0° |
| H24 | C14 | C15 | H26 | 22.3° | 180.0° |
| H24 | C14 | C15 | H27 | 92.2° | 60.0° |
| H25 | C14 | C15 | C16 | 30.8° | 60.1° |
| H25 | C14 | C15 | H26 | 91.8° | 60.0° |
| H25 | C14 | C15 | H27 | 153.7° | 180.0° |
| C16 | C15 | H26 | H27 | 117.4° | 120.0° |
| C15 | C16 | H28 | H29 | 120.6° | 120.0° |
| C15 | C16 | H28 | H30 | 120.7° | 120.0° |
| C15 | C16 | H29 | H30 | 120.7° | 120.1° |
| H26 | C15 | C16 | H28 | 144.4° | 60.0° |
| H26 | C15 | C16 | H29 | 24.5° | 59.9° |
| H26 | C15 | C16 | H30 | 95.6° | 179.9° |
| H27 | C15 | C16 | H28 | 101.0° | 60.1° |
| H27 | C15 | C16 | H29 | 139.1° | 180.0° |
| H27 | C15 | C16 | H30 | 19.1° | 59.9° |
| H28 | C16 | H29 | H30 | 118.7° | 120.0° |
| O9 | C17 | O10 | C18 | 180.0° | 180.0° |
| O9 | C17 | C18 | C19 | 94.4° | 180.0° |
| O9 | C17 | C18 | H31 | 142.7° | 60.0° |
| O9 | C17 | C18 | H32 | 28.5° | 59.9° |
| O10 | C17 | C18 | C19 | 85.6° | 0.0° |
| O10 | C17 | C18 | H31 | 37.3° | 120.0° |
| O10 | C17 | C18 | H32 | 151.5° | 120.0° |
| C17 | C18 | C19 | H31 | 122.5° | 120.0° |
| C17 | C18 | C19 | H32 | 122.5° | 120.1° |
| C17 | C18 | H31 | H32 | 116.8° | 120.0° |
| C17 | C18 | C19 | C20 | 134.9° | 180.0° |
| C17 | C18 | C19 | H33 | 12.2° | 60.0° |
| C17 | C18 | C19 | H34 | 102.3° | 60.0° |
| C19 | C18 | H31 | H32 | 118.0° | 120.0° |
| C18 | C19 | C20 | H33 | 122.7° | 120.0° |
| C18 | C19 | C20 | H34 | 122.7° | 120.0° |
| C18 | C19 | H33 | H34 | 117.2° | 120.0° |
| C18 | C19 | C20 | C21 | 123.4° | 180.0° |
| C18 | C19 | C20 | H35 | 113.9° | 60.0° |
| C18 | C19 | C20 | H36 | 0.7° | 60.0° |
| H31 | C18 | C19 | C20 | 12.4° | 60.0° |
| H31 | C18 | C19 | H33 | 110.3° | 179.9° |
| H31 | C18 | C19 | H34 | 135.1° | 60.0° |
| H32 | C18 | C19 | C20 | 102.6° | 60.0° |
| H32 | C18 | C19 | H33 | 134.7° | 60.0° |
| H32 | C18 | C19 | H34 | 20.2° | 180.0° |
| C20 | C19 | H33 | H34 | 117.3° | 120.0° |
| C19 | C20 | C21 | H35 | 122.6° | 120.0° |
| C19 | C20 | C21 | H36 | 122.7° | 120.0° |
| C19 | C20 | H35 | H36 | 117.5° | 120.1° |
| C19 | C20 | C21 | C22 | 74.4° | 180.0° |
| C19 | C20 | C21 | H37 | 162.9° | 60.0° |
| C19 | C20 | C21 | H38 | 48.3° | 60.0° |
| H33 | C19 | C20 | C21 | 113.9° | 60.0° |
| H33 | C19 | C20 | H35 | 8.8° | 180.0° |
| H33 | C19 | C20 | H36 | 123.4° | 60.0° |
| H34 | C19 | C20 | C21 | 0.7° | 60.0° |
| H34 | C19 | C20 | H35 | 123.4° | 60.0° |
| H34 | C19 | C20 | H36 | 122.0° | 180.0° |
| C21 | C20 | H35 | H36 | 117.7° | 119.9° |
| C20 | C21 | C22 | H37 | 122.7° | 120.0° |
| C20 | C21 | C22 | H38 | 122.7° | 120.0° |
| C20 | C21 | H37 | H38 | 117.4° | 120.0° |
| C20 | C21 | C22 | C23 | 112.4° | 180.0° |
| C20 | C21 | C22 | H39 | 10.1° | 60.0° |
| C20 | C21 | C22 | H40 | 125.1° | 60.0° |
| H35 | C20 | C21 | C22 | 163.1° | 60.0° |
| H35 | C20 | C21 | H37 | 40.3° | 179.9° |
| H35 | C20 | C21 | H38 | 74.3° | 60.0° |
| H36 | C20 | C21 | C22 | 48.3° | 60.0° |
| H36 | C20 | C21 | H37 | 74.4° | 60.0° |
| H36 | C20 | C21 | H38 | 170.9° | 180.0° |
| C22 | C21 | H37 | H38 | 117.3° | 120.0° |
| C21 | C22 | C23 | H39 | 122.5° | 120.0° |
| C21 | C22 | C23 | H40 | 122.6° | 120.0° |
| C21 | C22 | H39 | H40 | 118.1° | 120.0° |
| C21 | C22 | C23 | C24 | 106.9° | 180.0° |
| C21 | C22 | C23 | H41 | 130.2° | 60.0° |
| C21 | C22 | C23 | H42 | 15.9° | 60.0° |
| H37 | C21 | C22 | C23 | 10.3° | 60.0° |
| H37 | C21 | C22 | H39 | 132.8° | 180.0° |
| H37 | C21 | C22 | H40 | 112.2° | 60.0° |
| H38 | C21 | C22 | C23 | 125.0° | 60.0° |
| H38 | C21 | C22 | H39 | 112.6° | 60.0° |
| H38 | C21 | C22 | H40 | 2.4° | 180.0° |
| C23 | C22 | H39 | H40 | 117.9° | 120.0° |
| C22 | C23 | C24 | H41 | 122.7° | 120.1° |
| C22 | C23 | C24 | H42 | 122.7° | 120.0° |
| C22 | C23 | H41 | H42 | 117.3° | 120.0° |
| C22 | C23 | C24 | C25 | 87.7° | 180.0° |
| C22 | C23 | C24 | H43 | 149.4° | 60.0° |
| C22 | C23 | C24 | H44 | 35.3° | 60.0° |
| H39 | C22 | C23 | C24 | 130.6° | 60.0° |
| H39 | C22 | C23 | H41 | 7.7° | 180.0° |
| H39 | C22 | C23 | H42 | 106.6° | 60.0° |
| H40 | C22 | C23 | C24 | 15.7° | 60.0° |
| H40 | C22 | C23 | H41 | 107.2° | 60.0° |
| H40 | C22 | C23 | H42 | 138.4° | NaN° |
| C24 | C23 | H41 | H42 | 117.6° | 119.9° |
| C23 | C24 | C25 | H43 | 122.9° | 120.0° |
| C23 | C24 | C25 | H44 | 123.0° | 120.0° |
| C23 | C24 | H43 | H44 | 116.5° | 120.0° |
| C23 | C24 | C25 | C26 | 143.4° | 180.0° |
| C23 | C24 | C25 | H45 | 93.7° | 60.0° |
| C23 | C24 | C25 | H46 | 20.3° | 60.0° |
| H41 | C23 | C24 | C25 | 149.6° | 60.0° |
| H41 | C23 | C24 | H43 | 26.6° | 180.0° |
| H41 | C23 | C24 | H44 | 87.4° | 60.0° |
| H42 | C23 | C24 | C25 | 35.0° | 60.0° |
| H42 | C23 | C24 | H43 | 88.0° | 60.0° |
| H42 | C23 | C24 | H44 | 158.0° | 180.0° |
| C25 | C24 | H43 | H44 | 116.6° | 120.0° |
| C24 | C25 | C26 | H45 | 123.0° | 120.0° |
| C24 | C25 | C26 | H46 | 123.0° | 120.1° |
| C24 | C25 | H45 | H46 | 116.6° | 120.0° |
| C24 | C25 | C26 | H47 | 13.5° | 180.0° |
| C24 | C25 | C26 | H48 | 106.5° | 60.0° |
| C24 | C25 | C26 | H49 | 133.5° | 59.9° |
| H43 | C24 | C25 | C26 | 93.7° | 60.0° |
| H43 | C24 | C25 | H45 | 29.3° | 179.9° |
| H43 | C24 | C25 | H46 | 143.3° | 60.0° |
| H44 | C24 | C25 | C26 | 20.4° | 60.0° |
| H44 | C24 | C25 | H45 | 143.4° | 60.0° |
| H44 | C24 | C25 | H46 | 102.6° | 180.0° |
| C26 | C25 | H45 | H46 | 116.5° | 120.0° |
| C25 | C26 | H47 | H48 | 120.7° | 120.0° |
| C25 | C26 | H47 | H49 | 120.6° | 120.0° |
| C25 | C26 | H48 | H49 | 120.6° | 120.0° |
| H45 | C25 | C26 | H47 | 136.5° | 60.0° |
| H45 | C25 | C26 | H48 | 16.4° | 180.0° |
| H45 | C25 | C26 | H49 | 103.5° | 60.1° |
| H46 | C25 | C26 | H47 | 109.5° | 59.9° |
| H46 | C25 | C26 | H48 | 130.4° | 60.0° |
| H46 | C25 | C26 | H49 | 10.5° | 180.0° |
| H47 | C26 | H48 | H49 | 118.7° | 120.0° |
