A1J29
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P2 | doub | 1.48Å | 1.52Å | |
| O5 | P2 | sing | 1.61Å | 1.52Å | |
| O3 | P1 | doub | 1.48Å | 1.49Å | |
| P2 | O4 | sing | 1.61Å | 1.62Å | |
| P2 | O6 | sing | 1.61Å | 1.52Å | |
| O4 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O1 | sing | 1.61Å | 1.60Å | |
| P1 | O2 | sing | 1.61Å | 1.48Å | |
| O1 | C25 | sing | 1.43Å | 1.38Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C2 | doub | 1.31Å | 1.33Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C9 | doub | 1.31Å | 1.33Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C19 | C17 | doub | 1.31Å | 1.34Å | |
| C12 | C14 | doub | 1.31Å | 1.34Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| O2 | H44 | sing | 0.97Å | 0.95Å | |
| O5 | H45 | sing | 0.97Å | 0.95Å | |
| O6 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P2 | O5 | 112.8° | 109.5° |
| O7 | P2 | O4 | 106.5° | 109.5° |
| O7 | P2 | O6 | 112.4° | 109.5° |
| O5 | P2 | O4 | 104.1° | 109.4° |
| O5 | P2 | O6 | 113.7° | 109.5° |
| P2 | O5 | H45 | 109.5° | 114.0° |
| O3 | P1 | O4 | 109.4° | 109.5° |
| O3 | P1 | O1 | 111.3° | 109.5° |
| O3 | P1 | O2 | 118.5° | 109.5° |
| O4 | P2 | O6 | 106.4° | 109.5° |
| P2 | O4 | P1 | 131.5° | 134.0° |
| P2 | O6 | H46 | 109.5° | 114.1° |
| O4 | P1 | O1 | 95.0° | 109.5° |
| O4 | P1 | O2 | 107.6° | 109.5° |
| O1 | P1 | O2 | 112.5° | 109.5° |
| P1 | O1 | C25 | 122.3° | 123.0° |
| P1 | O2 | H44 | 109.5° | 114.0° |
| O1 | C25 | C24 | 113.9° | 109.5° |
| O1 | C25 | H42 | 108.4° | 109.4° |
| O1 | C25 | H43 | 108.4° | 109.5° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C5 | C6 | C7 | 110.5° | 109.5° |
| C6 | C5 | H8 | 109.4° | 109.5° |
| C6 | C5 | H9 | 109.4° | 109.5° |
| C5 | C6 | H10 | 109.2° | 109.5° |
| C5 | C6 | H11 | 109.2° | 109.5° |
| C5 | C4 | C2 | 129.5° | 120.0° |
| C5 | C4 | H7 | 115.3° | 120.0° |
| C4 | C5 | H8 | 109.4° | 109.5° |
| C4 | C5 | H9 | 109.4° | 109.5° |
| C25 | C24 | C22 | 119.1° | 109.5° |
| C25 | C24 | H40 | 107.0° | 109.4° |
| C25 | C24 | H41 | 107.0° | 109.5° |
| C24 | C25 | H42 | 108.4° | 109.5° |
| C24 | C25 | H43 | 108.3° | 109.5° |
| C6 | C7 | C8 | 114.5° | 120.0° |
| C6 | C7 | C9 | 121.0° | 120.0° |
| C7 | C6 | H10 | 109.2° | 109.5° |
| C7 | C6 | H11 | 109.2° | 109.5° |
| C4 | C2 | C3 | 120.8° | 120.0° |
| C4 | C2 | C1 | 125.1° | 120.0° |
| C2 | C4 | H7 | 115.3° | 120.0° |
| C24 | C22 | C23 | 112.3° | 109.4° |
| C24 | C22 | C21 | 110.1° | 109.5° |
| C24 | C22 | H36 | 106.9° | 109.5° |
| C22 | C24 | H40 | 107.0° | 109.5° |
| C22 | C24 | H41 | 107.0° | 109.5° |
| C8 | C7 | C9 | 124.5° | 120.0° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C9 | C10 | 128.7° | 120.0° |
| C7 | C9 | H15 | 115.7° | 120.0° |
| C3 | C2 | C1 | 114.1° | 120.0° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C23 | C22 | C21 | 113.5° | 109.5° |
| C23 | C22 | H36 | 106.9° | 109.5° |
| C22 | C23 | H37 | 109.5° | 109.5° |
| C22 | C23 | H38 | 109.5° | 109.4° |
| C22 | C23 | H39 | 109.5° | 109.5° |
| C22 | C21 | C20 | 120.5° | 109.5° |
| C22 | C21 | H34 | 106.6° | 109.4° |
| C22 | C21 | H35 | 106.6° | 109.5° |
| C21 | C22 | H36 | 106.7° | 109.5° |
| C9 | C10 | C11 | 111.9° | 109.5° |
| C10 | C9 | H15 | 115.7° | 120.0° |
| C9 | C10 | H16 | 108.9° | 109.4° |
| C9 | C10 | H17 | 108.9° | 109.5° |
| C21 | C20 | C19 | 112.9° | 109.4° |
| C21 | C20 | H32 | 108.6° | 109.4° |
| C21 | C20 | H33 | 108.6° | 109.5° |
| C20 | C21 | H34 | 106.7° | 109.5° |
| C20 | C21 | H35 | 106.6° | 109.5° |
| C10 | C11 | C12 | 111.8° | 109.5° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C11 | C10 | H17 | 108.9° | 109.5° |
| C10 | C11 | H18 | 108.9° | 109.5° |
| C10 | C11 | H19 | 108.9° | 109.5° |
| C20 | C19 | C17 | 128.4° | 120.0° |
| C20 | C19 | H31 | 115.8° | 120.1° |
| C19 | C20 | H32 | 108.6° | 109.5° |
| C19 | C20 | H33 | 108.6° | 109.5° |
| C11 | C12 | C14 | 120.5° | 120.0° |
| C11 | C12 | C13 | 114.7° | 120.0° |
| C12 | C11 | H18 | 108.9° | 109.4° |
| C12 | C11 | H19 | 108.9° | 109.5° |
| C19 | C17 | C18 | 124.1° | 120.0° |
| C19 | C17 | C16 | 121.2° | 120.1° |
| C17 | C19 | H31 | 115.8° | 119.9° |
| C14 | C12 | C13 | 124.8° | 120.0° |
| C12 | C14 | C15 | 128.9° | 120.0° |
| C12 | C14 | H23 | 115.5° | 120.0° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C14 | C15 | C16 | 112.4° | 109.5° |
| C15 | C14 | H23 | 115.5° | 120.0° |
| C14 | C15 | H24 | 108.7° | 109.5° |
| C14 | C15 | H25 | 108.7° | 109.5° |
| C18 | C17 | C16 | 114.7° | 120.0° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C17 | C18 | H29 | 109.4° | 109.5° |
| C17 | C18 | H30 | 109.4° | 109.5° |
| C17 | C16 | C15 | 114.2° | 109.5° |
| C17 | C16 | H26 | 108.3° | 109.5° |
| C17 | C16 | H27 | 108.3° | 109.5° |
| C16 | C15 | H24 | 108.7° | 109.4° |
| C16 | C15 | H25 | 108.7° | 109.4° |
| C15 | C16 | H26 | 108.3° | 109.4° |
| C15 | C16 | H27 | 108.3° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H12 | C8 | H14 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.4° |
| H28 | C18 | H30 | 109.5° | 109.4° |
| H29 | C18 | H30 | 109.5° | 109.4° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.4° | 109.5° |
| H37 | C23 | H38 | 109.4° | 109.4° |
| H37 | C23 | H39 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P2 | O5 | O4 | 115.1° | 120.0° |
| O7 | P2 | O5 | O6 | 129.6° | 120.0° |
| O7 | P2 | O4 | O6 | 120.1° | 120.1° |
| O7 | P2 | O4 | P1 | 1.0° | 45.0° |
| O7 | P2 | O5 | H45 | 0.0° | 60.0° |
| O7 | P2 | O6 | H46 | 0.0° | 180.0° |
| O5 | P2 | O4 | O6 | 120.4° | 120.0° |
| O5 | P2 | O4 | P1 | 118.5° | 165.0° |
| O5 | P2 | O6 | H46 | 129.8° | 60.0° |
| O3 | P1 | O4 | P2 | 40.6° | 40.0° |
| O3 | P1 | O4 | O1 | 114.6° | 120.0° |
| O3 | P1 | O4 | O2 | 129.9° | 120.0° |
| O3 | P1 | O1 | O2 | 135.6° | 120.0° |
| O3 | P1 | O1 | C25 | 115.2° | 55.0° |
| O3 | P1 | O2 | H44 | 0.0° | 179.9° |
| P2 | O4 | P1 | O1 | 74.0° | 160.0° |
| P2 | O4 | P1 | O2 | 170.5° | 80.0° |
| O4 | P2 | O5 | H45 | 115.1° | 180.0° |
| O4 | P2 | O6 | H46 | 116.2° | 60.0° |
| O6 | P2 | O4 | P1 | 121.1° | 75.1° |
| O6 | P2 | O5 | H45 | 129.5° | 60.0° |
| O4 | P1 | O1 | O2 | 111.4° | 120.0° |
| O4 | P1 | O1 | C25 | 131.8° | 175.0° |
| O4 | P1 | O2 | H44 | 124.5° | 60.0° |
| P1 | O1 | C25 | C24 | 82.4° | 180.0° |
| P1 | O1 | C25 | H42 | 157.0° | 60.0° |
| P1 | O1 | C25 | H43 | 38.2° | 60.0° |
| O1 | P1 | O2 | H44 | 132.2° | 60.1° |
| O2 | P1 | O1 | C25 | 20.4° | 65.0° |
| O1 | C25 | C24 | H42 | 120.7° | 120.0° |
| O1 | C25 | C24 | H43 | 120.6° | 120.0° |
| O1 | C25 | C24 | C22 | 49.9° | 180.0° |
| O1 | C25 | C24 | H40 | 171.3° | 60.0° |
| O1 | C25 | C24 | H41 | 71.5° | 60.0° |
| O1 | C25 | H42 | H43 | 118.0° | 120.0° |
| C6 | C5 | C4 | H8 | 120.1° | 120.0° |
| C6 | C5 | C4 | H9 | 120.0° | 120.0° |
| C5 | C6 | C7 | H10 | 120.2° | 120.0° |
| C5 | C6 | C7 | H11 | 120.1° | 120.0° |
| C6 | C5 | C4 | C2 | 111.8° | 125.5° |
| C5 | C6 | C7 | C8 | 78.6° | 85.0° |
| C5 | C6 | C7 | C9 | 99.0° | 95.0° |
| C6 | C5 | C4 | H7 | 68.2° | 54.6° |
| C6 | C5 | H8 | H9 | 119.9° | 120.0° |
| C5 | C6 | H10 | H11 | 119.6° | 120.0° |
| C4 | C5 | C6 | C7 | 65.7° | 180.0° |
| C5 | C4 | C2 | H7 | 180.0° | 179.9° |
| C5 | C4 | C2 | C3 | 178.9° | 174.1° |
| C5 | C4 | C2 | C1 | 1.3° | 5.8° |
| C4 | C5 | H8 | H9 | 119.9° | 120.0° |
| C4 | C5 | C6 | H10 | 54.4° | 60.0° |
| C4 | C5 | C6 | H11 | 174.2° | 60.0° |
| C25 | C24 | C22 | H40 | 121.4° | 119.9° |
| C25 | C24 | C22 | H41 | 121.4° | 120.0° |
| C25 | C24 | C22 | C23 | 72.7° | 65.0° |
| C25 | C24 | C22 | C21 | 159.8° | 175.0° |
| C25 | C24 | C22 | H36 | 44.2° | 54.9° |
| C25 | C24 | H40 | H41 | 115.6° | 120.0° |
| C24 | C25 | H42 | H43 | 118.0° | 120.0° |
| C6 | C7 | C8 | C9 | 177.5° | 179.9° |
| C6 | C7 | C9 | C10 | 175.0° | 174.1° |
| C7 | C6 | C5 | H8 | 54.3° | 60.0° |
| C7 | C6 | C5 | H9 | 174.2° | 60.0° |
| C7 | C6 | H10 | H11 | 119.5° | 120.0° |
| C6 | C7 | C8 | H12 | 180.0° | 5.0° |
| C6 | C7 | C8 | H13 | 60.0° | 114.9° |
| C6 | C7 | C8 | H14 | 60.0° | 125.1° |
| C6 | C7 | C9 | H15 | 5.0° | 5.8° |
| C4 | C2 | C3 | C1 | 179.8° | 179.9° |
| C4 | C2 | C1 | H1 | 180.0° | 174.9° |
| C4 | C2 | C1 | H2 | 60.0° | 65.1° |
| C4 | C2 | C1 | H3 | 60.0° | 55.0° |
| C4 | C2 | C3 | H4 | 180.0° | 179.9° |
| C4 | C2 | C3 | H5 | 60.0° | 60.0° |
| C4 | C2 | C3 | H6 | 60.0° | 59.9° |
| C2 | C4 | C5 | H8 | 8.3° | 114.5° |
| C2 | C4 | C5 | H9 | 128.2° | 5.5° |
| C24 | C22 | C23 | C21 | 125.7° | 120.0° |
| C24 | C22 | C23 | H36 | 117.0° | 120.0° |
| C24 | C22 | C21 | H36 | 115.7° | 120.0° |
| C24 | C22 | C21 | C20 | 117.7° | 175.0° |
| C24 | C22 | C21 | H34 | 3.9° | 55.0° |
| C24 | C22 | C21 | H35 | 120.8° | 65.0° |
| C24 | C22 | C23 | H37 | 180.0° | 60.0° |
| C24 | C22 | C23 | H38 | 60.0° | 180.0° |
| C24 | C22 | C23 | H39 | 60.0° | 60.1° |
| C22 | C24 | H40 | H41 | 115.6° | 120.0° |
| C22 | C24 | C25 | H42 | 70.8° | 60.1° |
| C22 | C24 | C25 | H43 | 170.5° | 60.0° |
| C8 | C7 | C9 | C10 | 2.3° | 6.0° |
| C8 | C7 | C6 | H10 | 161.2° | 155.0° |
| C8 | C7 | C6 | H11 | 41.5° | 35.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.1° |
| C8 | C7 | C9 | H15 | 177.7° | 174.1° |
| C7 | C9 | C10 | H15 | 180.0° | 179.9° |
| C7 | C9 | C10 | C11 | 137.1° | 125.4° |
| C9 | C7 | C6 | H10 | 21.2° | 25.0° |
| C9 | C7 | C6 | H11 | 140.9° | 144.9° |
| C9 | C7 | C8 | H12 | 2.5° | 174.9° |
| C9 | C7 | C8 | H13 | 122.5° | 65.2° |
| C9 | C7 | C8 | H14 | 117.5° | 54.9° |
| C7 | C9 | C10 | H16 | 102.5° | 114.6° |
| C7 | C9 | C10 | H17 | 16.7° | 5.4° |
| C3 | C2 | C1 | H1 | 0.2° | 5.2° |
| C3 | C2 | C1 | H2 | 120.2° | 114.8° |
| C3 | C2 | C1 | H3 | 119.8° | 125.1° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 1.1° | 6.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H5 | 119.9° | 120.1° |
| C1 | C2 | C3 | H6 | 120.1° | 120.0° |
| C1 | C2 | C4 | H7 | 178.7° | 174.1° |
| C23 | C22 | C21 | H36 | 117.4° | 120.0° |
| C23 | C22 | C21 | C20 | 9.2° | 65.1° |
| C23 | C22 | C21 | H34 | 130.8° | 175.0° |
| C23 | C22 | C21 | H35 | 112.4° | 54.9° |
| C22 | C23 | H37 | H38 | 120.0° | 120.0° |
| C22 | C23 | H37 | H39 | 120.0° | 120.1° |
| C22 | C23 | H38 | H39 | 120.0° | 120.0° |
| C23 | C22 | C24 | H40 | 48.7° | 175.0° |
| C23 | C22 | C24 | H41 | 165.9° | 55.0° |
| C22 | C21 | C20 | H34 | 121.6° | 119.9° |
| C22 | C21 | C20 | H35 | 121.5° | 120.0° |
| C22 | C21 | C20 | C19 | 94.0° | 180.0° |
| C22 | C21 | C20 | H32 | 145.5° | 60.1° |
| C22 | C21 | C20 | H33 | 26.6° | 59.9° |
| C22 | C21 | H34 | H35 | 115.0° | 120.0° |
| C21 | C22 | C23 | H37 | 54.4° | 59.9° |
| C21 | C22 | C23 | H38 | 174.3° | 60.0° |
| C21 | C22 | C23 | H39 | 65.6° | 180.0° |
| C21 | C22 | C24 | H40 | 78.8° | 55.1° |
| C21 | C22 | C24 | H41 | 38.4° | 65.0° |
| C9 | C10 | C11 | H16 | 120.4° | 120.0° |
| C9 | C10 | C11 | H17 | 120.4° | 120.0° |
| C9 | C10 | C11 | C12 | 159.6° | 180.0° |
| C9 | C10 | H16 | H17 | 118.9° | 120.0° |
| C9 | C10 | C11 | H18 | 80.1° | 60.0° |
| C9 | C10 | C11 | H19 | 39.2° | 60.0° |
| C21 | C20 | C19 | H32 | 120.5° | 119.9° |
| C21 | C20 | C19 | H33 | 120.5° | 120.0° |
| C21 | C20 | C19 | C17 | 156.6° | 122.0° |
| C21 | C20 | C19 | H31 | 23.4° | 58.0° |
| C21 | C20 | H32 | H33 | 118.4° | 120.0° |
| C20 | C21 | H34 | H35 | 115.0° | 120.0° |
| C20 | C21 | C22 | H36 | 126.6° | 55.0° |
| C10 | C11 | C12 | H18 | 120.4° | 120.1° |
| C10 | C11 | C12 | H19 | 120.4° | 120.0° |
| C10 | C11 | C12 | C14 | 107.9° | 95.0° |
| C10 | C11 | C12 | C13 | 70.7° | 84.9° |
| C11 | C10 | C9 | H15 | 42.9° | 54.6° |
| C11 | C10 | H16 | H17 | 118.9° | 120.0° |
| C10 | C11 | H18 | H19 | 118.9° | 120.0° |
| C20 | C19 | C17 | H31 | 180.0° | 180.0° |
| C20 | C19 | C17 | C18 | 4.8° | 5.0° |
| C20 | C19 | C17 | C16 | 174.4° | 175.0° |
| C19 | C20 | H32 | H33 | 118.4° | 120.1° |
| C19 | C20 | C21 | H34 | 27.6° | 60.1° |
| C19 | C20 | C21 | H35 | 144.5° | 60.0° |
| C11 | C12 | C14 | C13 | 178.4° | 180.0° |
| C11 | C12 | C14 | C15 | 176.4° | 174.9° |
| C12 | C11 | C10 | H16 | 39.2° | 60.0° |
| C12 | C11 | C10 | H17 | 80.1° | 60.0° |
| C12 | C11 | H18 | H19 | 118.9° | 120.0° |
| C11 | C12 | C13 | H20 | 180.0° | 3.6° |
| C11 | C12 | C13 | H21 | 60.0° | 123.6° |
| C11 | C12 | C13 | H22 | 60.0° | 116.4° |
| C11 | C12 | C14 | H23 | 3.7° | 5.1° |
| C19 | C17 | C18 | C16 | 179.3° | 180.0° |
| C19 | C17 | C16 | C15 | 119.5° | 95.0° |
| C19 | C17 | C16 | H26 | 1.2° | 25.0° |
| C19 | C17 | C16 | H27 | 119.8° | 145.0° |
| C19 | C17 | C18 | H28 | 180.0° | 176.2° |
| C19 | C17 | C18 | H29 | 60.0° | 56.2° |
| C19 | C17 | C18 | H30 | 60.0° | 63.8° |
| C17 | C19 | C20 | H32 | 82.9° | 118.1° |
| C17 | C19 | C20 | H33 | 36.0° | 2.0° |
| C12 | C14 | C15 | H23 | 180.0° | 180.0° |
| C12 | C14 | C15 | C16 | 129.1° | 125.2° |
| C14 | C12 | C11 | H18 | 131.8° | 25.1° |
| C14 | C12 | C11 | H19 | 12.5° | 145.0° |
| C14 | C12 | C13 | H20 | 1.5° | 176.4° |
| C14 | C12 | C13 | H21 | 118.5° | 56.4° |
| C14 | C12 | C13 | H22 | 121.5° | 63.7° |
| C12 | C14 | C15 | H24 | 8.6° | 114.8° |
| C12 | C14 | C15 | H25 | 110.5° | 5.3° |
| C13 | C12 | C14 | C15 | 2.1° | 5.0° |
| C13 | C12 | C11 | H18 | 49.7° | 155.0° |
| C13 | C12 | C11 | H19 | 168.9° | 35.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C12 | C14 | H23 | 177.9° | 175.0° |
| C14 | C15 | C16 | C17 | 43.0° | 180.0° |
| C14 | C15 | C16 | H24 | 120.5° | 120.0° |
| C14 | C15 | C16 | H25 | 120.5° | 120.0° |
| C14 | C15 | H24 | H25 | 118.7° | 120.0° |
| C14 | C15 | C16 | H26 | 77.6° | 60.0° |
| C14 | C15 | C16 | H27 | 163.7° | 60.0° |
| C18 | C17 | C16 | C15 | 61.2° | 85.0° |
| C18 | C17 | C16 | H26 | 178.1° | 155.0° |
| C18 | C17 | C16 | H27 | 59.4° | 35.0° |
| C17 | C18 | H28 | H29 | 120.0° | 120.1° |
| C17 | C18 | H28 | H30 | 120.0° | 120.0° |
| C17 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | C17 | C19 | H31 | 175.2° | 175.0° |
| C17 | C16 | C15 | H26 | 120.7° | 120.0° |
| C17 | C16 | C15 | H27 | 120.7° | 120.1° |
| C17 | C16 | C15 | H24 | 77.4° | 60.0° |
| C17 | C16 | C15 | H25 | 163.5° | 59.9° |
| C17 | C16 | H26 | H27 | 117.9° | 120.1° |
| C16 | C17 | C18 | H28 | 0.8° | 3.9° |
| C16 | C17 | C18 | H29 | 119.3° | 123.9° |
| C16 | C17 | C18 | H30 | 120.7° | 116.1° |
| C16 | C17 | C19 | H31 | 5.6° | 4.9° |
| C16 | C15 | C14 | H23 | 51.0° | 54.8° |
| C16 | C15 | H24 | H25 | 118.6° | 119.9° |
| C15 | C16 | H26 | H27 | 117.8° | 119.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 119.9° | 120.0° |
| H7 | C4 | C5 | H8 | 171.7° | 65.4° |
| H7 | C4 | C5 | H9 | 51.8° | 174.6° |
| H8 | C5 | C6 | H10 | 174.5° | 180.0° |
| H8 | C5 | C6 | H11 | 65.8° | 60.0° |
| H9 | C5 | C6 | H10 | 65.6° | 60.0° |
| H9 | C5 | C6 | H11 | 54.1° | NaN° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| H15 | C9 | C10 | H16 | 77.4° | 65.5° |
| H15 | C9 | C10 | H17 | 163.3° | 174.5° |
| H16 | C10 | C11 | H18 | 159.5° | 180.0° |
| H16 | C10 | C11 | H19 | 81.2° | 60.0° |
| H17 | C10 | C11 | H18 | 40.3° | 60.0° |
| H17 | C10 | C11 | H19 | 159.6° | 180.0° |
| H20 | C13 | H21 | H22 | 120.0° | 119.9° |
| H23 | C14 | C15 | H24 | 171.4° | 65.2° |
| H23 | C14 | C15 | H25 | 69.5° | 174.8° |
| H24 | C15 | C16 | H26 | 161.9° | 180.0° |
| H24 | C15 | C16 | H27 | 43.3° | 60.1° |
| H25 | C15 | C16 | H26 | 42.8° | 60.0° |
| H25 | C15 | C16 | H27 | 75.8° | 180.0° |
| H28 | C18 | H29 | H30 | 120.0° | 119.9° |
| H31 | C19 | C20 | H32 | 97.1° | 61.9° |
| H31 | C19 | C20 | H33 | 144.0° | 178.0° |
| H32 | C20 | C21 | H34 | 92.9° | 180.0° |
| H32 | C20 | C21 | H35 | 23.9° | 59.9° |
| H33 | C20 | C21 | H34 | 148.1° | 60.0° |
| H33 | C20 | C21 | H35 | 95.0° | 179.9° |
| H34 | C21 | C22 | H36 | 111.8° | 65.0° |
| H35 | C21 | C22 | H36 | 5.1° | 175.0° |
| H36 | C22 | C23 | H37 | 63.0° | 180.0° |
| H36 | C22 | C23 | H38 | 57.0° | 60.1° |
| H36 | C22 | C23 | H39 | 177.0° | 59.9° |
| H36 | C22 | C24 | H40 | 165.6° | 65.0° |
| H36 | C22 | C24 | H41 | 77.2° | 174.9° |
| H37 | C23 | H38 | H39 | 120.0° | 120.0° |
| H40 | C24 | C25 | H42 | 50.6° | 180.0° |
| H40 | C24 | C25 | H43 | 68.1° | 60.0° |
| H41 | C24 | C25 | H42 | 167.9° | 60.0° |
| H41 | C24 | C25 | H43 | 49.2° | 180.0° |
