PEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | sing | 1.55Å | 1.68Å | |
| O2 | P1 | doub | 1.55Å | 1.68Å | |
| P1 | O3 | sing | 1.61Å | 1.65Å | |
| P1 | O8 | sing | 1.61Å | 1.66Å | |
| O3 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C1 | H2 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O6 | sing | 1.45Å | 1.45Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O4 | sing | 1.45Å | 1.46Å | |
| C3 | H4 | sing | 1.09Å | 1.11Å | |
| C3 | H5 | sing | 1.09Å | 1.11Å | |
| O4 | C4 | sing | 1.34Å | 1.44Å | |
| C4 | O5 | doub | 1.21Å | 1.39Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H6 | sing | 1.09Å | 1.11Å | |
| C5 | H7 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H8 | sing | 1.09Å | 1.11Å | |
| C6 | H9 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H10 | sing | 1.09Å | 1.11Å | |
| C7 | H11 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | H12 | sing | 1.09Å | 1.11Å | |
| C8 | H13 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| 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 | 1.55Å | |
| 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 | H22 | sing | 1.09Å | 1.11Å | |
| C13 | H23 | sing | 1.09Å | 1.11Å | |
| C13 | H24 | sing | 1.09Å | 1.11Å | |
| O6 | C14 | sing | 1.34Å | 1.47Å | |
| C14 | O7 | doub | 1.21Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H25 | sing | 1.09Å | 1.11Å | |
| C15 | H26 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H27 | sing | 1.09Å | 1.11Å | |
| C16 | H28 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H29 | sing | 1.09Å | 1.11Å | |
| C17 | H30 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H31 | sing | 1.09Å | 1.11Å | |
| C18 | H32 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H33 | sing | 1.09Å | 1.11Å | |
| C19 | H34 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H35 | sing | 1.09Å | 1.11Å | |
| C20 | H36 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| 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 | H41 | sing | 1.09Å | 1.11Å | |
| C23 | H42 | sing | 1.09Å | 1.11Å | |
| C23 | H43 | sing | 1.09Å | 1.11Å | |
| O8 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H44 | sing | 1.09Å | 1.11Å | |
| C24 | H45 | sing | 1.09Å | 1.11Å | |
| C25 | N1 | sing | 1.47Å | 1.45Å | |
| C25 | H46 | sing | 1.09Å | 1.11Å | |
| C25 | H47 | sing | 1.09Å | 1.11Å | |
| N1 | H48 | sing | 1.01Å | 1.10Å | |
| N1 | H49 | sing | 1.01Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 109.2° | 109.5° |
| O1 | P1 | O3 | 111.8° | 109.5° |
| O1 | P1 | O8 | 108.3° | 109.5° |
| O2 | P1 | O3 | 110.1° | 109.5° |
| O2 | P1 | O8 | 109.4° | 109.4° |
| O3 | P1 | O8 | 108.1° | 109.5° |
| P1 | O3 | C1 | 114.7° | 106.8° |
| P1 | O8 | C24 | 118.0° | 106.8° |
| O3 | C1 | C2 | 117.6° | 109.5° |
| O3 | C1 | H1 | 106.8° | 109.5° |
| O3 | C1 | H2 | 106.8° | 109.4° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C2 | C1 | H2 | 109.9° | 109.5° |
| C1 | C2 | C3 | 106.1° | 109.5° |
| C1 | C2 | O6 | 113.1° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| H1 | C1 | H2 | 104.9° | 109.4° |
| C3 | C2 | O6 | 106.6° | 109.5° |
| C3 | C2 | H3 | 116.3° | 109.5° |
| C2 | C3 | O4 | 119.9° | 109.5° |
| C2 | C3 | H4 | 108.8° | 109.5° |
| C2 | C3 | H5 | 108.8° | 109.5° |
| O6 | C2 | H3 | 105.7° | 109.5° |
| C2 | O6 | C14 | 126.0° | 120.0° |
| O4 | C3 | H4 | 106.7° | 109.4° |
| O4 | C3 | H5 | 106.6° | 109.5° |
| C3 | O4 | C4 | 122.0° | 120.0° |
| H4 | C3 | H5 | 105.2° | 109.5° |
| O4 | C4 | O5 | 113.5° | 120.0° |
| O4 | C4 | C5 | 125.5° | 120.0° |
| O5 | C4 | C5 | 121.0° | 120.0° |
| C4 | C5 | C6 | 111.1° | 109.5° |
| C4 | C5 | H6 | 109.7° | 109.4° |
| C4 | C5 | H7 | 109.7° | 109.5° |
| C6 | C5 | H6 | 110.6° | 109.5° |
| C6 | C5 | H7 | 110.5° | 109.5° |
| C5 | C6 | C7 | 118.1° | 109.5° |
| C5 | C6 | H8 | 108.3° | 109.5° |
| C5 | C6 | H9 | 108.2° | 109.5° |
| H6 | C5 | H7 | 105.0° | 109.5° |
| C7 | C6 | H8 | 108.2° | 109.5° |
| C7 | C6 | H9 | 108.3° | 109.5° |
| C6 | C7 | C8 | 115.9° | 109.5° |
| C6 | C7 | H10 | 108.7° | 109.5° |
| C6 | C7 | H11 | 108.8° | 109.4° |
| H8 | C6 | H9 | 105.1° | 109.5° |
| C8 | C7 | H10 | 108.9° | 109.5° |
| C8 | C7 | H11 | 108.9° | 109.5° |
| C7 | C8 | C9 | 116.9° | 109.5° |
| C7 | C8 | H12 | 108.5° | 109.5° |
| C7 | C8 | H13 | 108.5° | 109.5° |
| H10 | C7 | H11 | 105.1° | 109.5° |
| C9 | C8 | H12 | 108.7° | 109.4° |
| C9 | C8 | H13 | 108.6° | 109.4° |
| C8 | C9 | C10 | 115.1° | 109.5° |
| C8 | C9 | H14 | 109.1° | 109.4° |
| C8 | C9 | H15 | 109.0° | 109.5° |
| H12 | C8 | H13 | 105.1° | 109.5° |
| C10 | C9 | H14 | 109.0° | 109.5° |
| C10 | C9 | H15 | 109.3° | 109.5° |
| C9 | C10 | C11 | 115.5° | 109.5° |
| C9 | C10 | H16 | 109.2° | 109.5° |
| C9 | C10 | H17 | 109.3° | 109.5° |
| H14 | C9 | H15 | 104.9° | 109.5° |
| C11 | C10 | H16 | 108.7° | 109.5° |
| C11 | C10 | H17 | 108.8° | 109.5° |
| C10 | C11 | C12 | 115.0° | 109.5° |
| C10 | C11 | H18 | 109.1° | 109.5° |
| C10 | C11 | H19 | 109.0° | 109.5° |
| H16 | C10 | H17 | 104.9° | 109.5° |
| C12 | C11 | H18 | 109.2° | 109.4° |
| C12 | C11 | H19 | 109.1° | 109.5° |
| C11 | C12 | C13 | 114.9° | 109.5° |
| C11 | C12 | H20 | 109.3° | 109.5° |
| C11 | C12 | H21 | 109.3° | 109.5° |
| H18 | C11 | H19 | 105.0° | 109.5° |
| C13 | C12 | H20 | 108.9° | 109.4° |
| C13 | C12 | H21 | 108.9° | 109.4° |
| C12 | C13 | H22 | 110.0° | 109.4° |
| C12 | C13 | H23 | 109.9° | 109.4° |
| C12 | C13 | H24 | 109.9° | 109.5° |
| H20 | C12 | H21 | 105.1° | 109.5° |
| H22 | C13 | H23 | 109.0° | 109.5° |
| H22 | C13 | H24 | 108.9° | 109.5° |
| H23 | C13 | H24 | 109.0° | 109.5° |
| O6 | C14 | O7 | 122.5° | 120.0° |
| O6 | C14 | C15 | 118.6° | 120.0° |
| O7 | C14 | C15 | 118.9° | 120.0° |
| C14 | C15 | C16 | 112.9° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| C14 | C15 | H26 | 109.6° | 109.5° |
| C16 | C15 | H25 | 109.7° | 109.4° |
| C16 | C15 | H26 | 109.8° | 109.5° |
| C15 | C16 | C17 | 116.7° | 109.5° |
| C15 | C16 | H27 | 108.6° | 109.4° |
| C15 | C16 | H28 | 108.5° | 109.5° |
| H25 | C15 | H26 | 105.1° | 109.5° |
| C17 | C16 | H27 | 108.7° | 109.5° |
| C17 | C16 | H28 | 108.7° | 109.5° |
| C16 | C17 | C18 | 114.4° | 109.5° |
| C16 | C17 | H29 | 109.2° | 109.5° |
| C16 | C17 | H30 | 109.3° | 109.5° |
| H27 | C16 | H28 | 105.0° | 109.5° |
| C18 | C17 | H29 | 109.3° | 109.5° |
| C18 | C17 | H30 | 109.3° | 109.5° |
| C17 | C18 | C19 | 114.4° | 109.5° |
| C17 | C18 | H31 | 109.4° | 109.5° |
| C17 | C18 | H32 | 109.2° | 109.5° |
| H29 | C17 | H30 | 105.0° | 109.4° |
| C19 | C18 | H31 | 109.2° | 109.5° |
| C19 | C18 | H32 | 109.2° | 109.5° |
| C18 | C19 | C20 | 114.0° | 109.5° |
| C18 | C19 | H33 | 109.5° | 109.5° |
| C18 | C19 | H34 | 109.4° | 109.5° |
| H31 | C18 | H32 | 105.0° | 109.5° |
| C20 | C19 | H33 | 109.3° | 109.5° |
| C20 | C19 | H34 | 109.3° | 109.5° |
| C19 | C20 | C21 | 113.9° | 109.5° |
| C19 | C20 | H35 | 109.3° | 109.4° |
| C19 | C20 | H36 | 109.4° | 109.5° |
| H33 | C19 | H34 | 104.9° | 109.4° |
| C21 | C20 | H35 | 109.5° | 109.5° |
| C21 | C20 | H36 | 109.4° | 109.5° |
| C20 | C21 | C22 | 115.0° | 109.5° |
| C20 | C21 | H37 | 109.0° | 109.5° |
| C20 | C21 | H38 | 109.1° | 109.5° |
| H35 | C20 | H36 | 105.0° | 109.5° |
| C22 | C21 | H37 | 109.1° | 109.4° |
| C22 | C21 | H38 | 109.2° | 109.5° |
| C21 | C22 | C23 | 113.9° | 109.5° |
| C21 | C22 | H39 | 109.3° | 109.5° |
| C21 | C22 | H40 | 109.3° | 109.5° |
| H37 | C21 | H38 | 104.8° | 109.5° |
| C23 | C22 | H39 | 109.5° | 109.5° |
| C23 | C22 | H40 | 109.5° | 109.5° |
| C22 | C23 | H41 | 110.1° | 109.5° |
| C22 | C23 | H42 | 109.9° | 109.4° |
| C22 | C23 | H43 | 110.0° | 109.5° |
| H39 | C22 | H40 | 105.0° | 109.4° |
| H41 | C23 | H42 | 108.9° | 109.5° |
| H41 | C23 | H43 | 109.0° | 109.5° |
| H42 | C23 | H43 | 108.9° | 109.5° |
| O8 | C24 | C25 | 106.3° | 109.5° |
| O8 | C24 | H44 | 110.3° | 109.5° |
| O8 | C24 | H45 | 110.2° | 109.5° |
| C25 | C24 | H44 | 112.7° | 109.4° |
| C25 | C24 | H45 | 112.5° | 109.4° |
| C24 | C25 | N1 | 115.1° | 109.5° |
| C24 | C25 | H46 | 110.4° | 109.5° |
| C24 | C25 | H47 | 110.5° | 109.5° |
| H44 | C24 | H45 | 105.0° | 109.4° |
| N1 | C25 | H46 | 107.7° | 109.4° |
| N1 | C25 | H47 | 107.7° | 109.4° |
| C25 | N1 | H48 | 110.0° | 106.7° |
| C25 | N1 | H49 | 110.1° | 106.7° |
| H46 | C25 | H47 | 105.0° | 109.5° |
| H48 | N1 | H49 | 109.1° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 123.1° | 120.0° |
| O1 | P1 | O2 | O8 | 118.3° | 120.0° |
| O1 | P1 | O3 | O8 | 119.0° | 120.0° |
| O1 | P1 | O3 | C1 | 79.3° | 55.0° |
| O1 | P1 | O8 | C24 | 100.5° | 55.0° |
| O2 | P1 | O3 | O8 | 119.4° | 120.0° |
| O2 | P1 | O3 | C1 | 42.2° | 65.0° |
| O2 | P1 | O8 | C24 | 18.5° | 65.0° |
| P1 | O3 | C1 | C2 | 123.5° | 180.0° |
| P1 | O3 | C1 | H1 | 112.4° | 60.0° |
| P1 | O3 | C1 | H2 | 0.5° | 59.9° |
| O3 | P1 | O8 | C24 | 138.3° | 175.0° |
| O8 | P1 | O3 | C1 | 161.7° | 175.0° |
| P1 | O8 | C24 | C25 | 140.1° | 180.0° |
| P1 | O8 | C24 | H44 | 17.7° | 60.1° |
| P1 | O8 | C24 | H45 | 97.7° | 60.0° |
| O3 | C1 | C2 | H1 | 122.5° | 120.0° |
| O3 | C1 | C2 | H2 | 122.5° | 120.0° |
| O3 | C1 | H1 | H2 | 113.2° | 119.9° |
| O3 | C1 | C2 | C3 | 78.2° | 55.0° |
| O3 | C1 | C2 | O6 | 165.3° | 65.0° |
| O3 | C1 | C2 | H3 | 47.9° | 175.0° |
| C2 | C1 | H1 | H2 | 118.1° | 120.0° |
| C1 | C2 | C3 | O6 | 120.8° | 120.0° |
| C1 | C2 | C3 | H3 | 121.7° | 120.0° |
| C1 | C2 | O6 | H3 | 119.5° | 120.0° |
| C1 | C2 | C3 | O4 | 153.4° | 55.0° |
| C1 | C2 | C3 | H4 | 83.6° | 65.0° |
| C1 | C2 | C3 | H5 | 30.4° | 175.0° |
| C1 | C2 | O6 | C14 | 54.3° | 90.0° |
| H1 | C1 | C2 | C3 | 159.3° | 65.0° |
| H1 | C1 | C2 | O6 | 42.8° | 175.0° |
| H1 | C1 | C2 | H3 | 74.6° | 55.0° |
| H2 | C1 | C2 | C3 | 44.3° | 175.0° |
| H2 | C1 | C2 | O6 | 72.2° | 55.0° |
| H2 | C1 | C2 | H3 | 170.4° | 65.0° |
| C3 | C2 | O6 | H3 | 124.3° | 120.0° |
| C2 | C3 | O4 | H4 | 124.0° | 120.0° |
| C2 | C3 | O4 | H5 | 124.0° | 120.0° |
| C2 | C3 | H4 | H5 | 116.4° | 120.0° |
| C2 | C3 | O4 | C4 | 171.7° | 180.0° |
| C3 | C2 | O6 | C14 | 61.9° | 150.0° |
| O6 | C2 | C3 | O4 | 32.6° | 65.0° |
| O6 | C2 | C3 | H4 | 155.6° | 175.0° |
| O6 | C2 | C3 | H5 | 90.4° | 55.0° |
| C2 | O6 | C14 | O7 | 2.9° | 0.0° |
| C2 | O6 | C14 | C15 | 177.0° | 180.0° |
| H3 | C2 | C3 | O4 | 85.0° | 175.0° |
| H3 | C2 | C3 | H4 | 38.1° | 55.0° |
| H3 | C2 | C3 | H5 | 152.1° | 65.0° |
| H3 | C2 | O6 | C14 | 173.7° | 30.0° |
| O4 | C3 | H4 | H5 | 112.9° | 120.0° |
| C3 | O4 | C4 | O5 | 138.8° | 0.1° |
| C3 | O4 | C4 | C5 | 41.6° | 180.0° |
| H4 | C3 | O4 | C4 | 64.2° | 60.0° |
| H5 | C3 | O4 | C4 | 47.7° | 60.0° |
| O4 | C4 | O5 | C5 | 179.6° | 179.9° |
| O4 | C4 | C5 | C6 | 119.5° | 180.0° |
| O4 | C4 | C5 | H6 | 117.8° | 60.0° |
| O4 | C4 | C5 | H7 | 3.0° | 60.0° |
| O5 | C4 | C5 | C6 | 61.0° | 0.1° |
| O5 | C4 | C5 | H6 | 61.7° | 120.1° |
| O5 | C4 | C5 | H7 | 176.6° | 120.0° |
| C4 | C5 | C6 | H6 | 122.1° | 120.0° |
| C4 | C5 | C6 | H7 | 122.0° | 120.0° |
| C4 | C5 | H6 | H7 | 117.8° | 120.0° |
| C4 | C5 | C6 | C7 | 77.6° | 180.0° |
| C4 | C5 | C6 | H8 | 159.1° | 60.0° |
| C4 | C5 | C6 | H9 | 45.7° | 60.0° |
| C6 | C5 | H6 | H7 | 119.3° | 120.0° |
| C5 | C6 | C7 | H8 | 123.3° | 120.0° |
| C5 | C6 | C7 | H9 | 123.3° | 120.0° |
| C5 | C6 | H8 | H9 | 115.4° | 120.0° |
| C5 | C6 | C7 | C8 | 117.3° | 180.0° |
| C5 | C6 | C7 | H10 | 5.7° | 60.0° |
| C5 | C6 | C7 | H11 | 119.6° | 60.0° |
| H6 | C5 | C6 | C7 | 160.3° | 60.0° |
| H6 | C5 | C6 | H8 | 37.0° | 180.0° |
| H6 | C5 | C6 | H9 | 76.4° | 60.0° |
| H7 | C5 | C6 | C7 | 44.4° | 60.0° |
| H7 | C5 | C6 | H8 | 78.9° | 60.0° |
| H7 | C5 | C6 | H9 | 167.7° | 180.0° |
| C7 | C6 | H8 | H9 | 115.5° | 120.0° |
| C6 | C7 | C8 | H10 | 122.9° | 120.1° |
| C6 | C7 | C8 | H11 | 123.0° | 119.9° |
| C6 | C7 | H10 | H11 | 116.3° | 120.0° |
| C6 | C7 | C8 | C9 | 113.9° | 180.0° |
| C6 | C7 | C8 | H12 | 122.9° | 60.0° |
| C6 | C7 | C8 | H13 | 9.3° | 60.1° |
| H8 | C6 | C7 | C8 | 6.0° | 60.0° |
| H8 | C6 | C7 | H10 | 129.0° | NaN° |
| H8 | C6 | C7 | H11 | 117.1° | 60.0° |
| H9 | C6 | C7 | C8 | 119.4° | 60.0° |
| H9 | C6 | C7 | H10 | 117.6° | 60.0° |
| H9 | C6 | C7 | H11 | 3.7° | 180.0° |
| C8 | C7 | H10 | H11 | 116.6° | 120.0° |
| C7 | C8 | C9 | H12 | 123.1° | 120.1° |
| C7 | C8 | C9 | H13 | 123.1° | 120.0° |
| C7 | C8 | H12 | H13 | 115.9° | 120.0° |
| C7 | C8 | C9 | C10 | 105.3° | 180.0° |
| C7 | C8 | C9 | H14 | 131.8° | 59.9° |
| C7 | C8 | C9 | H15 | 17.8° | 60.0° |
| H10 | C7 | C8 | C9 | 123.2° | 60.0° |
| H10 | C7 | C8 | H12 | 0.0° | 180.0° |
| H10 | C7 | C8 | H13 | 113.6° | 60.0° |
| H11 | C7 | C8 | C9 | 9.1° | 60.0° |
| H11 | C7 | C8 | H12 | 114.1° | 60.0° |
| H11 | C7 | C8 | H13 | 132.3° | 180.0° |
| C9 | C8 | H12 | H13 | 116.1° | 119.9° |
| C8 | C9 | C10 | H14 | 122.9° | 120.0° |
| C8 | C9 | C10 | H15 | 123.0° | 120.0° |
| C8 | C9 | H14 | H15 | 116.7° | 120.0° |
| C8 | C9 | C10 | C11 | 50.0° | 180.0° |
| C8 | C9 | C10 | H16 | 172.7° | 60.0° |
| C8 | C9 | C10 | H17 | 73.0° | 60.0° |
| H12 | C8 | C9 | C10 | 131.6° | 60.0° |
| H12 | C8 | C9 | H14 | 8.7° | NaN° |
| H12 | C8 | C9 | H15 | 105.3° | 60.0° |
| H13 | C8 | C9 | C10 | 17.8° | 60.0° |
| H13 | C8 | C9 | H14 | 105.1° | 60.0° |
| H13 | C8 | C9 | H15 | 140.9° | 180.0° |
| C10 | C9 | H14 | H15 | 116.9° | 120.0° |
| C9 | C10 | C11 | H16 | 123.0° | 120.0° |
| C9 | C10 | C11 | H17 | 123.3° | 120.0° |
| C9 | C10 | H16 | H17 | 117.0° | 120.0° |
| C9 | C10 | C11 | C12 | 130.7° | 180.0° |
| C9 | C10 | C11 | H18 | 106.2° | 60.1° |
| C9 | C10 | C11 | H19 | 7.9° | 60.0° |
| H14 | C9 | C10 | C11 | 172.9° | 60.0° |
| H14 | C9 | C10 | H16 | 64.4° | 180.0° |
| H14 | C9 | C10 | H17 | 49.8° | 60.0° |
| H15 | C9 | C10 | C11 | 73.0° | 60.0° |
| H15 | C9 | C10 | H16 | 49.7° | 60.0° |
| H15 | C9 | C10 | H17 | 164.0° | 180.0° |
| C11 | C10 | H16 | H17 | 116.3° | 120.0° |
| C10 | C11 | C12 | H18 | 123.1° | 120.0° |
| C10 | C11 | C12 | H19 | 122.7° | 120.0° |
| C10 | C11 | H18 | H19 | 116.7° | 120.1° |
| C10 | C11 | C12 | C13 | 105.7° | 180.0° |
| C10 | C11 | C12 | H20 | 131.5° | 60.0° |
| C10 | C11 | C12 | H21 | 17.0° | 60.0° |
| H16 | C10 | C11 | C12 | 106.4° | 60.0° |
| H16 | C10 | C11 | H18 | 16.8° | 179.9° |
| H16 | C10 | C11 | H19 | 130.9° | 60.0° |
| H17 | C10 | C11 | C12 | 7.4° | 60.0° |
| H17 | C10 | C11 | H18 | 130.5° | 60.0° |
| H17 | C10 | C11 | H19 | 115.4° | 180.0° |
| C12 | C11 | H18 | H19 | 116.8° | 120.0° |
| C11 | C12 | C13 | H20 | 122.9° | 120.0° |
| C11 | C12 | C13 | H21 | 122.9° | 120.0° |
| C11 | C12 | H20 | H21 | 117.2° | 120.0° |
| C11 | C12 | C13 | H22 | 155.2° | 60.0° |
| C11 | C12 | C13 | H23 | 84.8° | 60.0° |
| C11 | C12 | C13 | H24 | 35.2° | 180.0° |
| H18 | C11 | C12 | C13 | 131.2° | 60.0° |
| H18 | C11 | C12 | H20 | 8.4° | 180.0° |
| H18 | C11 | C12 | H21 | 106.1° | 60.0° |
| H19 | C11 | C12 | C13 | 17.0° | 60.0° |
| H19 | C11 | C12 | H20 | 105.8° | 60.0° |
| H19 | C11 | C12 | H21 | 139.7° | 180.0° |
| C13 | C12 | H20 | H21 | 116.6° | 119.9° |
| C12 | C13 | H22 | H23 | 120.6° | 119.9° |
| C12 | C13 | H22 | H24 | 120.6° | 120.0° |
| C12 | C13 | H23 | H24 | 120.6° | 120.0° |
| H20 | C12 | C13 | H22 | 32.2° | 60.0° |
| H20 | C12 | C13 | H23 | 152.2° | 180.0° |
| H20 | C12 | C13 | H24 | 87.7° | 60.0° |
| H21 | C12 | C13 | H22 | 81.9° | 180.0° |
| H21 | C12 | C13 | H23 | 38.1° | 60.0° |
| H21 | C12 | C13 | H24 | 158.1° | 60.0° |
| H22 | C13 | H23 | H24 | 118.8° | 120.0° |
| O6 | C14 | O7 | C15 | 179.9° | 180.0° |
| O6 | C14 | C15 | C16 | 82.2° | 180.0° |
| O6 | C14 | C15 | H25 | 40.4° | 60.0° |
| O6 | C14 | C15 | H26 | 155.1° | 60.0° |
| O7 | C14 | C15 | C16 | 97.9° | 0.0° |
| O7 | C14 | C15 | H25 | 139.5° | 119.9° |
| O7 | C14 | C15 | H26 | 24.8° | 120.0° |
| C14 | C15 | C16 | H25 | 122.5° | 120.0° |
| C14 | C15 | C16 | H26 | 122.6° | 120.0° |
| C14 | C15 | H25 | H26 | 117.6° | 120.0° |
| C14 | C15 | C16 | C17 | 158.3° | 180.0° |
| C14 | C15 | C16 | H27 | 35.1° | 60.0° |
| C14 | C15 | C16 | H28 | 78.5° | 60.0° |
| C16 | C15 | H25 | H26 | 117.9° | 120.0° |
| C15 | C16 | C17 | H27 | 123.2° | 119.9° |
| C15 | C16 | C17 | H28 | 123.1° | 120.0° |
| C15 | C16 | H27 | H28 | 115.9° | 120.0° |
| C15 | C16 | C17 | C18 | 70.9° | 179.9° |
| C15 | C16 | C17 | H29 | 166.3° | 60.0° |
| C15 | C16 | C17 | H30 | 51.9° | 60.0° |
| H25 | C15 | C16 | C17 | 35.8° | 60.0° |
| H25 | C15 | C16 | H27 | 87.4° | 180.0° |
| H25 | C15 | C16 | H28 | 159.0° | 60.0° |
| H26 | C15 | C16 | C17 | 79.1° | 60.0° |
| H26 | C15 | C16 | H27 | 157.7° | 60.0° |
| H26 | C15 | C16 | H28 | 44.1° | 180.0° |
| C17 | C16 | H27 | H28 | 116.1° | 120.1° |
| C16 | C17 | C18 | H29 | 122.8° | 120.0° |
| C16 | C17 | C18 | H30 | 122.8° | 120.0° |
| C16 | C17 | H29 | H30 | 117.1° | 120.0° |
| C16 | C17 | C18 | C19 | 113.9° | 180.0° |
| C16 | C17 | C18 | H31 | 9.0° | 60.0° |
| C16 | C17 | C18 | H32 | 123.4° | 60.0° |
| H27 | C16 | C17 | C18 | 165.9° | 60.0° |
| H27 | C16 | C17 | H29 | 43.1° | 179.9° |
| H27 | C16 | C17 | H30 | 71.3° | 60.0° |
| H28 | C16 | C17 | C18 | 52.2° | 60.1° |
| H28 | C16 | C17 | H29 | 70.6° | 60.0° |
| H28 | C16 | C17 | H30 | 175.0° | 180.0° |
| C18 | C17 | H29 | H30 | 117.1° | 120.0° |
| C17 | C18 | C19 | H31 | 123.0° | 120.0° |
| C17 | C18 | C19 | H32 | 122.7° | 120.0° |
| C17 | C18 | H31 | H32 | 117.1° | 120.0° |
| C17 | C18 | C19 | C20 | 173.8° | 180.0° |
| C17 | C18 | C19 | H33 | 63.5° | 59.9° |
| C17 | C18 | C19 | H34 | 51.1° | 60.0° |
| H29 | C17 | C18 | C19 | 8.9° | 60.0° |
| H29 | C17 | C18 | H31 | 131.8° | 180.0° |
| H29 | C17 | C18 | H32 | 113.8° | 60.0° |
| H30 | C17 | C18 | C19 | 123.3° | 60.0° |
| H30 | C17 | C18 | H31 | 113.9° | 60.0° |
| H30 | C17 | C18 | H32 | 0.5° | 180.0° |
| C19 | C18 | H31 | H32 | 117.0° | 120.0° |
| C18 | C19 | C20 | H33 | 122.9° | 120.0° |
| C18 | C19 | C20 | H34 | 122.8° | 120.0° |
| C18 | C19 | H33 | H34 | 117.4° | 120.0° |
| C18 | C19 | C20 | C21 | 55.7° | 180.0° |
| C18 | C19 | C20 | H35 | 67.0° | 60.0° |
| C18 | C19 | C20 | H36 | 178.5° | 60.0° |
| H31 | C18 | C19 | C20 | 63.3° | 60.0° |
| H31 | C18 | C19 | H33 | 59.5° | 180.0° |
| H31 | C18 | C19 | H34 | 174.0° | 60.0° |
| H32 | C18 | C19 | C20 | 51.0° | 60.0° |
| H32 | C18 | C19 | H33 | 173.8° | 60.0° |
| H32 | C18 | C19 | H34 | 71.7° | 180.0° |
| C20 | C19 | H33 | H34 | 117.1° | 120.0° |
| C19 | C20 | C21 | H35 | 122.7° | 120.0° |
| C19 | C20 | C21 | H36 | 122.8° | 120.0° |
| C19 | C20 | H35 | H36 | 117.3° | 120.0° |
| C19 | C20 | C21 | C22 | 148.6° | 180.0° |
| C19 | C20 | C21 | H37 | 25.7° | 60.0° |
| C19 | C20 | C21 | H38 | 88.3° | 60.0° |
| H33 | C19 | C20 | C21 | 67.2° | 60.0° |
| H33 | C19 | C20 | H35 | 170.1° | 180.0° |
| H33 | C19 | C20 | H36 | 55.6° | 60.0° |
| H34 | C19 | C20 | C21 | 178.5° | 60.0° |
| H34 | C19 | C20 | H35 | 55.8° | 60.1° |
| H34 | C19 | C20 | H36 | 58.7° | 179.9° |
| C21 | C20 | H35 | H36 | 117.4° | 120.0° |
| C20 | C21 | C22 | H37 | 122.9° | 120.0° |
| C20 | C21 | C22 | H38 | 123.0° | 120.0° |
| C20 | C21 | H37 | H38 | 116.7° | 120.0° |
| C20 | C21 | C22 | C23 | 176.5° | 180.0° |
| C20 | C21 | C22 | H39 | 60.8° | 60.0° |
| C20 | C21 | C22 | H40 | 53.6° | 60.0° |
| H35 | C20 | C21 | C22 | 26.0° | 60.0° |
| H35 | C20 | C21 | H37 | 97.0° | 180.0° |
| H35 | C20 | C21 | H38 | 149.0° | 60.0° |
| H36 | C20 | C21 | C22 | 88.6° | 60.0° |
| H36 | C20 | C21 | H37 | 148.5° | 60.0° |
| H36 | C20 | C21 | H38 | 34.5° | 180.0° |
| C22 | C21 | H37 | H38 | 116.9° | 120.0° |
| C21 | C22 | C23 | H39 | 122.6° | 120.0° |
| C21 | C22 | C23 | H40 | 122.8° | 120.0° |
| C21 | C22 | H39 | H40 | 117.2° | 120.0° |
| C21 | C22 | C23 | H41 | 149.8° | 60.0° |
| C21 | C22 | C23 | H42 | 90.3° | 180.0° |
| C21 | C22 | C23 | H43 | 29.6° | 60.0° |
| H37 | C21 | C22 | C23 | 60.6° | 60.0° |
| H37 | C21 | C22 | H39 | 62.1° | 180.0° |
| H37 | C21 | C22 | H40 | 176.5° | 60.1° |
| H38 | C21 | C22 | C23 | 53.4° | 60.0° |
| H38 | C21 | C22 | H39 | 176.2° | 60.0° |
| H38 | C21 | C22 | H40 | 69.4° | 179.9° |
| C23 | C22 | H39 | H40 | 117.5° | 120.0° |
| C22 | C23 | H41 | H42 | 120.5° | 120.0° |
| C22 | C23 | H41 | H43 | 120.8° | 120.0° |
| C22 | C23 | H42 | H43 | 120.6° | 120.0° |
| H39 | C22 | C23 | H41 | 27.1° | 60.0° |
| H39 | C22 | C23 | H42 | 147.0° | 60.0° |
| H39 | C22 | C23 | H43 | 93.0° | 180.0° |
| H40 | C22 | C23 | H41 | 87.5° | 179.9° |
| H40 | C22 | C23 | H42 | 32.4° | 59.9° |
| H40 | C22 | C23 | H43 | 152.3° | 60.0° |
| H41 | C23 | H42 | H43 | 118.7° | 120.0° |
| O8 | C24 | C25 | H44 | 120.9° | 120.0° |
| O8 | C24 | C25 | H45 | 120.6° | 120.1° |
| O8 | C24 | H44 | H45 | 118.7° | 120.1° |
| O8 | C24 | C25 | N1 | 115.0° | 65.0° |
| O8 | C24 | C25 | H46 | 7.2° | 175.0° |
| O8 | C24 | C25 | H47 | 122.8° | 55.0° |
| C25 | C24 | H44 | H45 | 122.8° | 119.9° |
| C24 | C25 | N1 | H46 | 123.6° | 120.0° |
| C24 | C25 | N1 | H47 | 123.7° | 120.0° |
| C24 | C25 | H46 | H47 | 119.0° | 120.0° |
| C24 | C25 | N1 | H48 | 176.7° | 66.2° |
| C24 | C25 | N1 | H49 | 63.1° | 180.0° |
| H44 | C24 | C25 | N1 | 5.9° | 55.0° |
| H44 | C24 | C25 | H46 | 128.1° | 64.9° |
| H44 | C24 | C25 | H47 | 116.3° | 175.0° |
| H45 | C24 | C25 | N1 | 124.4° | 175.0° |
| H45 | C24 | C25 | H46 | 113.5° | 55.0° |
| H45 | C24 | C25 | H47 | 2.1° | 65.1° |
| N1 | C25 | H46 | H47 | 114.6° | 120.0° |
| C25 | N1 | H48 | H49 | 120.8° | 113.8° |
| H46 | C25 | N1 | H48 | 59.8° | 53.8° |
| H46 | C25 | N1 | H49 | 60.4° | 60.0° |
| H47 | C25 | N1 | H48 | 53.0° | 173.8° |
| H47 | C25 | N1 | H49 | 173.2° | 60.0° |
