X41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | sing | 1.54Å | 1.58Å | |
| O2 | P1 | doub | 1.55Å | 1.58Å | |
| P1 | O3 | sing | 1.61Å | 1.60Å | |
| P1 | O4 | sing | 1.61Å | 1.60Å | |
| O3 | H1 | sing | 0.97Å | 0.98Å | |
| O4 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.11Å | |
| C1 | H3 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O7 | sing | 1.45Å | 1.42Å | |
| C2 | H4 | sing | 1.09Å | 1.12Å | |
| C3 | O5 | sing | 1.45Å | 1.41Å | |
| C3 | H5 | sing | 1.09Å | 1.11Å | |
| C3 | H6 | sing | 1.09Å | 1.12Å | |
| O5 | C4 | sing | 1.34Å | 1.35Å | |
| C4 | O6 | doub | 1.21Å | 1.21Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H7 | sing | 1.09Å | 1.12Å | |
| C5 | H8 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.12Å | |
| C6 | H10 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H11 | sing | 1.09Å | 1.12Å | |
| C7 | H12 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H13 | sing | 1.09Å | 1.12Å | |
| C8 | H14 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H15 | sing | 1.09Å | 1.12Å | |
| C9 | H16 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H17 | sing | 1.09Å | 1.12Å | |
| C10 | H18 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | H19 | sing | 1.09Å | 1.11Å | |
| C11 | H20 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | doub | 1.31Å | 1.34Å | |
| C12 | H21 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H22 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H23 | sing | 1.09Å | 1.11Å | |
| C14 | H24 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H25 | sing | 1.09Å | 1.12Å | |
| C15 | H26 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H27 | sing | 1.09Å | 1.12Å | |
| C16 | H28 | sing | 1.09Å | 1.12Å | |
| C17 | H29 | sing | 1.09Å | 1.11Å | |
| C17 | H30 | sing | 1.09Å | 1.12Å | |
| C17 | H31 | sing | 1.09Å | 1.11Å | |
| O7 | C18 | sing | 1.34Å | 1.35Å | |
| C18 | O8 | doub | 1.21Å | 1.21Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H32 | sing | 1.09Å | 1.11Å | |
| C19 | H33 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H34 | sing | 1.09Å | 1.12Å | |
| C20 | H35 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H36 | sing | 1.09Å | 1.12Å | |
| C21 | H37 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H38 | sing | 1.09Å | 1.12Å | |
| C22 | H39 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H40 | sing | 1.09Å | 1.11Å | |
| C23 | H41 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H42 | sing | 1.09Å | 1.12Å | |
| C24 | H43 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H44 | sing | 1.09Å | 1.12Å | |
| C25 | H45 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H46 | sing | 1.09Å | 1.12Å | |
| C26 | H47 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H48 | sing | 1.09Å | 1.12Å | |
| C27 | H49 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H50 | sing | 1.09Å | 1.12Å | |
| C28 | H51 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H52 | sing | 1.09Å | 1.12Å | |
| C29 | H53 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H54 | sing | 1.09Å | 1.11Å | |
| C30 | H55 | sing | 1.09Å | 1.11Å | |
| C31 | H56 | sing | 1.09Å | 1.11Å | |
| C31 | H57 | sing | 1.09Å | 1.11Å | |
| C31 | H58 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 91.4° | 109.5° |
| O1 | P1 | O3 | 112.9° | 109.5° |
| O1 | P1 | O4 | 112.8° | 109.5° |
| O2 | P1 | O3 | 115.0° | 109.5° |
| O2 | P1 | O4 | 118.0° | 109.4° |
| O3 | P1 | O4 | 106.5° | 109.5° |
| P1 | O3 | H1 | 107.1° | 106.8° |
| P1 | O4 | C1 | 120.4° | 106.8° |
| O4 | C1 | C2 | 111.3° | 109.5° |
| O4 | C1 | H2 | 109.5° | 109.5° |
| O4 | C1 | H3 | 105.3° | 109.5° |
| C2 | C1 | H2 | 115.2° | 109.5° |
| C2 | C1 | H3 | 108.7° | 109.5° |
| C1 | C2 | C3 | 119.1° | 109.4° |
| C1 | C2 | O7 | 112.4° | 109.5° |
| C1 | C2 | H4 | 104.4° | 109.4° |
| H2 | C1 | H3 | 106.3° | 109.4° |
| C3 | C2 | O7 | 113.1° | 109.5° |
| C3 | C2 | H4 | 104.3° | 109.5° |
| C2 | C3 | O5 | 109.2° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 111.4° | 109.5° |
| O7 | C2 | H4 | 100.9° | 109.5° |
| C2 | O7 | C18 | 132.8° | 120.0° |
| O5 | C3 | H5 | 108.7° | 109.5° |
| O5 | C3 | H6 | 109.1° | 109.5° |
| C3 | O5 | C4 | 127.6° | 120.0° |
| H5 | C3 | H6 | 108.8° | 109.5° |
| O5 | C4 | O6 | 120.1° | 120.0° |
| O5 | C4 | C5 | 115.5° | 120.0° |
| O6 | C4 | C5 | 124.3° | 120.0° |
| C4 | C5 | C6 | 113.0° | 109.4° |
| C4 | C5 | H7 | 107.6° | 109.4° |
| C4 | C5 | H8 | 110.7° | 109.4° |
| C6 | C5 | H7 | 108.7° | 109.5° |
| C6 | C5 | H8 | 108.0° | 109.5° |
| C5 | C6 | C7 | 112.7° | 109.4° |
| C5 | C6 | H9 | 109.2° | 109.5° |
| C5 | C6 | H10 | 108.6° | 109.5° |
| H7 | C5 | H8 | 108.7° | 109.5° |
| C7 | C6 | H9 | 108.6° | 109.4° |
| C7 | C6 | H10 | 111.1° | 109.5° |
| C6 | C7 | C8 | 113.2° | 109.4° |
| C6 | C7 | H11 | 108.1° | 109.5° |
| C6 | C7 | H12 | 110.9° | 109.4° |
| H9 | C6 | H10 | 106.4° | 109.5° |
| C8 | C7 | H11 | 108.8° | 109.5° |
| C8 | C7 | H12 | 109.1° | 109.4° |
| C7 | C8 | C9 | 113.0° | 109.5° |
| C7 | C8 | H13 | 109.2° | 109.5° |
| C7 | C8 | H14 | 109.1° | 109.5° |
| H11 | C7 | H12 | 106.5° | 109.5° |
| C9 | C8 | H13 | 108.3° | 109.4° |
| C9 | C8 | H14 | 110.3° | 109.4° |
| C8 | C9 | C10 | 112.0° | 109.5° |
| C8 | C9 | H15 | 109.6° | 109.5° |
| C8 | C9 | H16 | 109.8° | 109.5° |
| H13 | C8 | H14 | 106.7° | 109.5° |
| C10 | C9 | H15 | 109.6° | 109.5° |
| C10 | C9 | H16 | 109.0° | 109.5° |
| C9 | C10 | C11 | 112.9° | 109.5° |
| C9 | C10 | H17 | 109.0° | 109.5° |
| C9 | C10 | H18 | 109.6° | 109.5° |
| H15 | C9 | H16 | 106.8° | 109.4° |
| C11 | C10 | H17 | 109.0° | 109.4° |
| C11 | C10 | H18 | 109.2° | 109.4° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C10 | C11 | H20 | 110.2° | 109.5° |
| H17 | C10 | H18 | 106.9° | 109.5° |
| C12 | C11 | H19 | 109.9° | 109.5° |
| C12 | C11 | H20 | 109.0° | 109.5° |
| C11 | C12 | C13 | 125.9° | 120.0° |
| C11 | C12 | H21 | 116.2° | 120.0° |
| H19 | C11 | H20 | 105.7° | 109.4° |
| C13 | C12 | H21 | 117.9° | 120.0° |
| C12 | C13 | C14 | 126.0° | 120.0° |
| C12 | C13 | H22 | 118.2° | 120.0° |
| C14 | C13 | H22 | 115.8° | 120.0° |
| C13 | C14 | C15 | 110.9° | 109.5° |
| C13 | C14 | H23 | 110.9° | 109.5° |
| C13 | C14 | H24 | 108.7° | 109.5° |
| C15 | C14 | H23 | 109.8° | 109.4° |
| C15 | C14 | H24 | 110.4° | 109.5° |
| C14 | C15 | C16 | 111.8° | 109.5° |
| C14 | C15 | H25 | 109.3° | 109.5° |
| C14 | C15 | H26 | 109.4° | 109.5° |
| H23 | C14 | H24 | 106.1° | 109.5° |
| C16 | C15 | H25 | 109.3° | 109.5° |
| C16 | C15 | H26 | 109.3° | 109.4° |
| C15 | C16 | C17 | 111.8° | 109.5° |
| C15 | C16 | H27 | 109.6° | 109.5° |
| C15 | C16 | H28 | 109.6° | 109.5° |
| H25 | C15 | H26 | 107.5° | 109.5° |
| C17 | C16 | H27 | 109.2° | 109.5° |
| C17 | C16 | H28 | 109.3° | 109.5° |
| C16 | C17 | H29 | 111.1° | 109.4° |
| C16 | C17 | H30 | 111.0° | 109.5° |
| C16 | C17 | H31 | 111.2° | 109.5° |
| H27 | C16 | H28 | 107.3° | 109.5° |
| H29 | C17 | H30 | 107.7° | 109.5° |
| H29 | C17 | H31 | 107.9° | 109.5° |
| H30 | C17 | H31 | 107.7° | 109.5° |
| O7 | C18 | O8 | 120.2° | 120.0° |
| O7 | C18 | C19 | 119.0° | 120.0° |
| O8 | C18 | C19 | 120.8° | 120.0° |
| C18 | C19 | C20 | 113.7° | 109.5° |
| C18 | C19 | H32 | 111.9° | 109.5° |
| C18 | C19 | H33 | 107.3° | 109.4° |
| C20 | C19 | H32 | 110.8° | 109.5° |
| C20 | C19 | H33 | 108.4° | 109.5° |
| C19 | C20 | C21 | 114.3° | 109.4° |
| C19 | C20 | H34 | 107.9° | 109.5° |
| C19 | C20 | H35 | 109.7° | 109.5° |
| H32 | C19 | H33 | 104.1° | 109.5° |
| C21 | C20 | H34 | 109.1° | 109.5° |
| C21 | C20 | H35 | 108.6° | 109.5° |
| C20 | C21 | C22 | 113.1° | 109.4° |
| C20 | C21 | H36 | 109.7° | 109.5° |
| C20 | C21 | H37 | 109.2° | 109.5° |
| H34 | C20 | H35 | 107.1° | 109.5° |
| C22 | C21 | H36 | 109.8° | 109.5° |
| C22 | C21 | H37 | 107.9° | 109.5° |
| C21 | C22 | C23 | 113.9° | 109.5° |
| C21 | C22 | H38 | 109.1° | 109.5° |
| C21 | C22 | H39 | 108.7° | 109.5° |
| H36 | C21 | H37 | 107.0° | 109.5° |
| C23 | C22 | H38 | 109.4° | 109.4° |
| C23 | C22 | H39 | 108.7° | 109.5° |
| C22 | C23 | C24 | 111.8° | 109.5° |
| C22 | C23 | H40 | 109.4° | 109.5° |
| C22 | C23 | H41 | 109.5° | 109.5° |
| H38 | C22 | H39 | 106.8° | 109.5° |
| C24 | C23 | H40 | 108.7° | 109.4° |
| C24 | C23 | H41 | 109.7° | 109.5° |
| C23 | C24 | C25 | 113.8° | 109.5° |
| C23 | C24 | H42 | 109.6° | 109.4° |
| C23 | C24 | H43 | 108.8° | 109.5° |
| H40 | C23 | H41 | 107.6° | 109.4° |
| C25 | C24 | H42 | 109.8° | 109.4° |
| C25 | C24 | H43 | 108.4° | 109.5° |
| C24 | C25 | C26 | 115.7° | 109.5° |
| C24 | C25 | H44 | 108.5° | 109.4° |
| C24 | C25 | H45 | 108.8° | 109.5° |
| H42 | C24 | H43 | 106.1° | 109.5° |
| C26 | C25 | H44 | 108.5° | 109.5° |
| C26 | C25 | H45 | 109.1° | 109.4° |
| C25 | C26 | C27 | 115.9° | 109.5° |
| C25 | C26 | H46 | 108.5° | 109.5° |
| C25 | C26 | H47 | 109.1° | 109.4° |
| H44 | C25 | H45 | 105.7° | 109.5° |
| C27 | C26 | H46 | 108.6° | 109.5° |
| C27 | C26 | H47 | 108.7° | 109.4° |
| C26 | C27 | C28 | 114.0° | 109.5° |
| C26 | C27 | H48 | 110.0° | 109.5° |
| C26 | C27 | H49 | 107.6° | 109.4° |
| H46 | C26 | H47 | 105.6° | 109.5° |
| C28 | C27 | H48 | 109.6° | 109.5° |
| C28 | C27 | H49 | 109.2° | 109.4° |
| C27 | C28 | C29 | 113.3° | 109.5° |
| C27 | C28 | H50 | 108.9° | 109.5° |
| C27 | C28 | H51 | 109.9° | 109.4° |
| H48 | C27 | H49 | 106.2° | 109.5° |
| C29 | C28 | H50 | 107.9° | 109.5° |
| C29 | C28 | H51 | 109.7° | 109.5° |
| C28 | C29 | C30 | 113.6° | 109.5° |
| C28 | C29 | H52 | 108.7° | 109.4° |
| C28 | C29 | H53 | 109.5° | 109.5° |
| H50 | C28 | H51 | 106.9° | 109.4° |
| C30 | C29 | H52 | 108.2° | 109.4° |
| C30 | C29 | H53 | 109.9° | 109.5° |
| C29 | C30 | C31 | 112.2° | 109.5° |
| C29 | C30 | H54 | 109.6° | 109.4° |
| C29 | C30 | H55 | 109.8° | 109.5° |
| H52 | C29 | H53 | 106.9° | 109.5° |
| C31 | C30 | H54 | 109.2° | 109.5° |
| C31 | C30 | H55 | 108.5° | 109.5° |
| C30 | C31 | H56 | 111.2° | 109.5° |
| C30 | C31 | H57 | 111.0° | 109.5° |
| C30 | C31 | H58 | 111.1° | 109.4° |
| H54 | C30 | H55 | 107.4° | 109.4° |
| H56 | C31 | H57 | 107.7° | 109.5° |
| H56 | C31 | H58 | 108.1° | 109.5° |
| H57 | C31 | H58 | 107.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 116.2° | 120.0° |
| O1 | P1 | O2 | O4 | 116.8° | 120.0° |
| O1 | P1 | O3 | O4 | 124.3° | 120.0° |
| O1 | P1 | O3 | H1 | 78.1° | 60.0° |
| O1 | P1 | O4 | C1 | 2.4° | 55.0° |
| O2 | P1 | O3 | O4 | 132.6° | 120.0° |
| O2 | P1 | O3 | H1 | 25.0° | 60.0° |
| O2 | P1 | O4 | C1 | 107.0° | 65.0° |
| O3 | P1 | O4 | C1 | 122.1° | 175.0° |
| O4 | P1 | O3 | H1 | 157.6° | 180.0° |
| P1 | O4 | C1 | C2 | 170.2° | 180.0° |
| P1 | O4 | C1 | H2 | 61.3° | 60.0° |
| P1 | O4 | C1 | H3 | 52.6° | 60.0° |
| O4 | C1 | C2 | H2 | 125.5° | 120.0° |
| O4 | C1 | C2 | H3 | 115.5° | 120.0° |
| O4 | C1 | H2 | H3 | 113.2° | 120.0° |
| O4 | C1 | C2 | C3 | 93.7° | 55.0° |
| O4 | C1 | C2 | O7 | 130.6° | 65.0° |
| O4 | C1 | C2 | H4 | 22.1° | 175.0° |
| C2 | C1 | H2 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | O7 | 135.4° | 120.0° |
| C1 | C2 | C3 | H4 | 115.8° | 119.9° |
| C1 | C2 | O7 | H4 | 110.7° | 120.0° |
| C1 | C2 | C3 | O5 | 159.1° | 55.0° |
| C1 | C2 | C3 | H5 | 40.2° | 175.0° |
| C1 | C2 | C3 | H6 | 80.3° | 65.0° |
| C1 | C2 | O7 | C18 | 91.7° | 90.0° |
| H2 | C1 | C2 | C3 | 31.8° | 65.0° |
| H2 | C1 | C2 | O7 | 103.9° | 175.0° |
| H2 | C1 | C2 | H4 | 147.5° | 55.0° |
| H3 | C1 | C2 | C3 | 150.8° | 175.0° |
| H3 | C1 | C2 | O7 | 15.1° | 55.0° |
| H3 | C1 | C2 | H4 | 93.4° | 65.0° |
| C3 | C2 | O7 | H4 | 110.8° | 120.1° |
| C2 | C3 | O5 | H5 | 119.5° | 119.9° |
| C2 | C3 | O5 | H6 | 122.0° | 120.0° |
| C2 | C3 | H5 | H6 | 122.0° | 120.0° |
| C2 | C3 | O5 | C4 | 101.5° | 180.0° |
| C3 | C2 | O7 | C18 | 129.9° | 150.0° |
| O7 | C2 | C3 | O5 | 23.7° | 64.9° |
| O7 | C2 | C3 | H5 | 95.2° | 55.0° |
| O7 | C2 | C3 | H6 | 144.3° | 175.0° |
| C2 | O7 | C18 | O8 | 179.1° | 0.0° |
| C2 | O7 | C18 | C19 | 0.8° | 180.0° |
| H4 | C2 | C3 | O5 | 85.1° | 175.0° |
| H4 | C2 | C3 | H5 | 156.0° | 65.1° |
| H4 | C2 | C3 | H6 | 35.5° | 55.0° |
| H4 | C2 | O7 | C18 | 19.0° | 29.9° |
| O5 | C3 | H5 | H6 | 118.7° | 120.1° |
| C3 | O5 | C4 | O6 | 176.7° | 0.1° |
| C3 | O5 | C4 | C5 | 4.7° | 180.0° |
| H5 | C3 | O5 | C4 | 18.0° | 60.1° |
| H6 | C3 | O5 | C4 | 136.5° | 60.0° |
| O5 | C4 | O6 | C5 | 178.4° | 180.0° |
| O5 | C4 | C5 | C6 | 87.1° | 180.0° |
| O5 | C4 | C5 | H7 | 153.0° | 60.0° |
| O5 | C4 | C5 | H8 | 34.3° | 60.0° |
| O6 | C4 | C5 | C6 | 94.4° | 0.0° |
| O6 | C4 | C5 | H7 | 25.5° | 120.0° |
| O6 | C4 | C5 | H8 | 144.2° | 120.0° |
| C4 | C5 | C6 | H7 | 119.4° | 119.9° |
| C4 | C5 | C6 | H8 | 122.8° | 120.0° |
| C4 | C5 | H7 | H8 | 119.9° | 120.0° |
| C4 | C5 | C6 | C7 | 87.0° | 179.9° |
| C4 | C5 | C6 | H9 | 33.8° | 60.0° |
| C4 | C5 | C6 | H10 | 149.5° | 60.1° |
| C6 | C5 | H7 | H8 | 117.3° | 120.1° |
| C5 | C6 | C7 | H9 | 121.1° | 120.0° |
| C5 | C6 | C7 | H10 | 122.2° | 120.0° |
| C5 | C6 | H9 | H10 | 117.1° | 120.1° |
| C5 | C6 | C7 | C8 | 58.7° | 180.0° |
| C5 | C6 | C7 | H11 | 179.4° | 60.0° |
| C5 | C6 | C7 | H12 | 64.3° | 60.0° |
| H7 | C5 | C6 | C7 | 32.4° | 60.0° |
| H7 | C5 | C6 | H9 | 153.2° | 59.9° |
| H7 | C5 | C6 | H10 | 91.2° | 180.0° |
| H8 | C5 | C6 | C7 | 150.2° | 60.1° |
| H8 | C5 | C6 | H9 | 89.0° | 180.0° |
| H8 | C5 | C6 | H10 | 26.6° | 59.9° |
| C7 | C6 | H9 | H10 | 119.7° | 120.0° |
| C6 | C7 | C8 | H11 | 120.3° | 120.1° |
| C6 | C7 | C8 | H12 | 124.0° | 119.9° |
| C6 | C7 | H11 | H12 | 119.2° | 120.0° |
| C6 | C7 | C8 | C9 | 102.4° | 180.0° |
| C6 | C7 | C8 | H13 | 137.1° | 60.0° |
| C6 | C7 | C8 | H14 | 20.8° | 60.1° |
| H9 | C6 | C7 | C8 | 179.8° | 60.1° |
| H9 | C6 | C7 | H11 | 59.5° | 60.0° |
| H9 | C6 | C7 | H12 | 56.9° | 180.0° |
| H10 | C6 | C7 | C8 | 63.5° | 59.9° |
| H10 | C6 | C7 | H11 | 57.2° | 180.0° |
| H10 | C6 | C7 | H12 | 173.5° | 60.0° |
| C8 | C7 | H11 | H12 | 117.4° | 120.0° |
| C7 | C8 | C9 | H13 | 121.1° | 120.1° |
| C7 | C8 | C9 | H14 | 122.4° | 120.0° |
| C7 | C8 | H13 | H14 | 117.8° | 120.1° |
| C7 | C8 | C9 | C10 | 138.2° | 180.0° |
| C7 | C8 | C9 | H15 | 100.0° | 59.9° |
| C7 | C8 | C9 | H16 | 17.0° | 60.0° |
| H11 | C7 | C8 | C9 | 137.4° | 59.9° |
| H11 | C7 | C8 | H13 | 16.8° | 180.0° |
| H11 | C7 | C8 | H14 | 99.5° | 60.0° |
| H12 | C7 | C8 | C9 | 21.6° | 60.1° |
| H12 | C7 | C8 | H13 | 99.0° | 59.9° |
| H12 | C7 | C8 | H14 | 144.7° | 180.0° |
| C9 | C8 | H13 | H14 | 118.7° | 119.9° |
| C8 | C9 | C10 | H15 | 121.8° | 120.1° |
| C8 | C9 | C10 | H16 | 121.7° | 120.0° |
| C8 | C9 | H15 | H16 | 118.8° | 120.0° |
| C8 | C9 | C10 | C11 | 40.6° | 180.0° |
| C8 | C9 | C10 | H17 | 80.7° | 60.0° |
| C8 | C9 | C10 | H18 | 162.7° | 60.0° |
| H13 | C8 | C9 | C10 | 100.7° | 60.0° |
| H13 | C8 | C9 | H15 | 21.2° | 180.0° |
| H13 | C8 | C9 | H16 | 138.1° | 60.0° |
| H14 | C8 | C9 | C10 | 15.7° | 60.0° |
| H14 | C8 | C9 | H15 | 137.6° | 60.0° |
| H14 | C8 | C9 | H16 | 105.5° | 180.0° |
| C10 | C9 | H15 | H16 | 117.9° | 120.0° |
| C9 | C10 | C11 | H17 | 121.3° | 120.0° |
| C9 | C10 | C11 | H18 | 122.3° | 120.0° |
| C9 | C10 | H17 | H18 | 118.4° | 120.0° |
| C9 | C10 | C11 | C12 | 97.4° | 180.0° |
| C9 | C10 | C11 | H19 | 25.0° | 59.9° |
| C9 | C10 | C11 | H20 | 140.8° | 60.0° |
| H15 | C9 | C10 | C11 | 81.2° | 59.9° |
| H15 | C9 | C10 | H17 | 157.5° | 180.0° |
| H15 | C9 | C10 | H18 | 40.8° | 60.0° |
| H16 | C9 | C10 | C11 | 162.3° | 60.0° |
| H16 | C9 | C10 | H17 | 41.0° | 60.0° |
| H16 | C9 | C10 | H18 | 75.6° | 180.0° |
| C11 | C10 | H17 | H18 | 118.0° | 119.9° |
| C10 | C11 | C12 | H19 | 122.1° | 120.0° |
| C10 | C11 | C12 | H20 | 122.5° | 120.0° |
| C10 | C11 | H19 | H20 | 118.7° | 120.0° |
| C10 | C11 | C12 | C13 | 176.1° | 127.6° |
| C10 | C11 | C12 | H21 | 3.5° | 52.3° |
| H17 | C10 | C11 | C12 | 23.9° | 60.0° |
| H17 | C10 | C11 | H19 | 146.3° | 180.0° |
| H17 | C10 | C11 | H20 | 97.9° | 60.0° |
| H18 | C10 | C11 | C12 | 140.4° | 60.0° |
| H18 | C10 | C11 | H19 | 97.2° | 60.1° |
| H18 | C10 | C11 | H20 | 18.6° | 180.0° |
| C12 | C11 | H19 | H20 | 117.5° | 120.0° |
| C11 | C12 | C13 | H21 | 179.6° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 7.6° |
| C11 | C12 | C13 | H22 | 178.8° | 172.5° |
| H19 | C11 | C12 | C13 | 54.0° | 7.6° |
| H19 | C11 | C12 | H21 | 125.6° | 172.4° |
| H20 | C11 | C12 | C13 | 61.4° | 112.4° |
| H20 | C11 | C12 | H21 | 119.0° | 67.7° |
| C12 | C13 | C14 | H22 | 179.2° | 180.0° |
| C12 | C13 | C14 | C15 | 135.7° | 126.3° |
| C12 | C13 | C14 | H23 | 13.5° | 113.7° |
| C12 | C13 | C14 | H24 | 102.8° | 6.3° |
| H21 | C12 | C13 | C14 | 179.2° | 172.5° |
| H21 | C12 | C13 | H22 | 1.6° | 7.5° |
| C13 | C14 | C15 | H23 | 122.8° | 120.0° |
| C13 | C14 | C15 | H24 | 120.5° | 120.0° |
| C13 | C14 | H23 | H24 | 117.8° | 120.1° |
| C13 | C14 | C15 | C16 | 101.1° | 180.0° |
| C13 | C14 | C15 | H25 | 137.7° | 60.0° |
| C13 | C14 | C15 | H26 | 20.3° | 60.1° |
| H22 | C13 | C14 | C15 | 43.5° | 53.6° |
| H22 | C13 | C14 | H23 | 165.8° | 66.3° |
| H22 | C13 | C14 | H24 | 78.0° | 173.7° |
| C15 | C14 | H23 | H24 | 119.3° | 120.0° |
| C14 | C15 | C16 | H25 | 121.2° | 120.0° |
| C14 | C15 | C16 | H26 | 121.4° | 120.0° |
| C14 | C15 | H25 | H26 | 118.7° | 120.0° |
| C14 | C15 | C16 | C17 | 164.5° | 180.0° |
| C14 | C15 | C16 | H27 | 74.3° | 60.0° |
| C14 | C15 | C16 | H28 | 43.2° | 60.0° |
| H23 | C14 | C15 | C16 | 136.1° | 60.0° |
| H23 | C14 | C15 | H25 | 14.9° | 180.0° |
| H23 | C14 | C15 | H26 | 102.6° | 60.0° |
| H24 | C14 | C15 | C16 | 19.5° | 60.0° |
| H24 | C14 | C15 | H25 | 101.8° | 60.0° |
| H24 | C14 | C15 | H26 | 140.8° | 179.9° |
| C16 | C15 | H25 | H26 | 118.6° | 120.0° |
| C15 | C16 | C17 | H27 | 121.4° | 120.0° |
| C15 | C16 | C17 | H28 | 121.5° | 120.0° |
| C15 | C16 | H27 | H28 | 118.9° | 120.0° |
| C15 | C16 | C17 | H29 | 63.0° | 60.0° |
| C15 | C16 | C17 | H30 | 177.1° | 180.0° |
| C15 | C16 | C17 | H31 | 57.3° | 60.0° |
| H25 | C15 | C16 | C17 | 74.3° | 60.0° |
| H25 | C15 | C16 | H27 | 46.9° | 179.9° |
| H25 | C15 | C16 | H28 | 164.4° | 60.0° |
| H26 | C15 | C16 | C17 | 43.1° | 60.0° |
| H26 | C15 | C16 | H27 | 164.3° | 59.9° |
| H26 | C15 | C16 | H28 | 78.2° | 180.0° |
| C17 | C16 | H27 | H28 | 118.3° | 120.0° |
| C16 | C17 | H29 | H30 | 121.8° | 120.0° |
| C16 | C17 | H29 | H31 | 122.2° | 120.0° |
| C16 | C17 | H30 | H31 | 121.9° | 120.0° |
| H27 | C16 | C17 | H29 | 58.4° | 59.9° |
| H27 | C16 | C17 | H30 | 61.5° | 60.0° |
| H27 | C16 | C17 | H31 | 178.7° | 180.0° |
| H28 | C16 | C17 | H29 | 175.5° | 180.0° |
| H28 | C16 | C17 | H30 | 55.6° | 60.0° |
| H28 | C16 | C17 | H31 | 64.2° | 60.0° |
| H29 | C17 | H30 | H31 | 116.2° | 120.0° |
| O7 | C18 | O8 | C19 | 179.9° | 179.9° |
| O7 | C18 | C19 | C20 | 103.2° | 180.0° |
| O7 | C18 | C19 | H32 | 23.3° | 60.0° |
| O7 | C18 | C19 | H33 | 136.9° | 60.0° |
| O8 | C18 | C19 | C20 | 76.9° | 0.0° |
| O8 | C18 | C19 | H32 | 156.6° | 120.0° |
| O8 | C18 | C19 | H33 | 43.0° | 120.0° |
| C18 | C19 | C20 | H32 | 127.0° | 120.0° |
| C18 | C19 | C20 | H33 | 119.3° | 120.0° |
| C18 | C19 | H32 | H33 | 115.6° | 120.0° |
| C18 | C19 | C20 | C21 | 140.3° | 180.0° |
| C18 | C19 | C20 | H34 | 98.2° | 60.0° |
| C18 | C19 | C20 | H35 | 18.1° | 60.0° |
| C20 | C19 | H32 | H33 | 116.4° | 120.0° |
| C19 | C20 | C21 | H34 | 120.8° | 120.0° |
| C19 | C20 | C21 | H35 | 122.8° | 120.0° |
| C19 | C20 | H34 | H35 | 118.1° | 120.0° |
| C19 | C20 | C21 | C22 | 159.2° | 180.0° |
| C19 | C20 | C21 | H36 | 36.4° | 60.0° |
| C19 | C20 | C21 | H37 | 80.6° | 60.0° |
| H32 | C19 | C20 | C21 | 92.7° | 60.0° |
| H32 | C19 | C20 | H34 | 28.8° | 180.0° |
| H32 | C19 | C20 | H35 | 145.1° | 60.0° |
| H33 | C19 | C20 | C21 | 21.0° | 60.0° |
| H33 | C19 | C20 | H34 | 142.5° | 60.0° |
| H33 | C19 | C20 | H35 | 101.2° | 180.0° |
| C21 | C20 | H34 | H35 | 117.3° | 120.0° |
| C20 | C21 | C22 | H36 | 122.8° | 120.0° |
| C20 | C21 | C22 | H37 | 120.9° | 120.0° |
| C20 | C21 | H36 | H37 | 118.3° | 120.0° |
| C20 | C21 | C22 | C23 | 87.2° | 180.0° |
| C20 | C21 | C22 | H38 | 150.3° | 60.0° |
| C20 | C21 | C22 | H39 | 34.2° | 60.0° |
| H34 | C20 | C21 | C22 | 38.5° | 60.0° |
| H34 | C20 | C21 | H36 | 84.4° | NaN° |
| H34 | C20 | C21 | H37 | 158.7° | 60.0° |
| H35 | C20 | C21 | C22 | 77.9° | 60.0° |
| H35 | C20 | C21 | H36 | 159.2° | 60.0° |
| H35 | C20 | C21 | H37 | 42.3° | NaN° |
| C22 | C21 | H36 | H37 | 116.9° | 120.0° |
| C21 | C22 | C23 | H38 | 122.4° | 120.0° |
| C21 | C22 | C23 | H39 | 121.4° | 120.0° |
| C21 | C22 | H38 | H39 | 117.3° | 120.0° |
| C21 | C22 | C23 | C24 | 66.9° | 180.0° |
| C21 | C22 | C23 | H40 | 172.7° | 60.0° |
| C21 | C22 | C23 | H41 | 54.9° | 60.0° |
| H36 | C21 | C22 | C23 | 150.0° | 60.0° |
| H36 | C21 | C22 | H38 | 27.5° | 180.0° |
| H36 | C21 | C22 | H39 | 88.6° | 60.0° |
| H37 | C21 | C22 | C23 | 33.8° | 60.0° |
| H37 | C21 | C22 | H38 | 88.8° | 59.9° |
| H37 | C21 | C22 | H39 | 155.1° | 180.0° |
| C23 | C22 | H38 | H39 | 117.5° | 120.0° |
| C22 | C23 | C24 | H40 | 120.8° | 120.0° |
| C22 | C23 | C24 | H41 | 121.7° | 120.1° |
| C22 | C23 | H40 | H41 | 118.9° | 120.0° |
| C22 | C23 | C24 | C25 | 104.2° | 180.0° |
| C22 | C23 | C24 | H42 | 132.4° | 60.0° |
| C22 | C23 | C24 | H43 | 16.7° | 59.9° |
| H38 | C22 | C23 | C24 | 170.7° | 60.1° |
| H38 | C22 | C23 | H40 | 50.3° | 180.0° |
| H38 | C22 | C23 | H41 | 67.5° | 60.0° |
| H39 | C22 | C23 | C24 | 54.5° | 60.0° |
| H39 | C22 | C23 | H40 | 66.0° | 60.0° |
| H39 | C22 | C23 | H41 | 176.3° | 179.9° |
| C24 | C23 | H40 | H41 | 118.8° | 119.9° |
| C23 | C24 | C25 | H42 | 123.3° | 119.9° |
| C23 | C24 | C25 | H43 | 121.2° | 120.0° |
| C23 | C24 | H42 | H43 | 117.4° | 120.0° |
| C23 | C24 | C25 | C26 | 62.3° | 180.0° |
| C23 | C24 | C25 | H44 | 59.9° | 60.0° |
| C23 | C24 | C25 | H45 | 174.5° | 60.0° |
| H40 | C23 | C24 | C25 | 134.9° | 60.0° |
| H40 | C23 | C24 | H42 | 11.6° | 180.0° |
| H40 | C23 | C24 | H43 | 104.1° | 60.1° |
| H41 | C23 | C24 | C25 | 17.5° | 59.9° |
| H41 | C23 | C24 | H42 | 105.9° | 60.1° |
| H41 | C23 | C24 | H43 | 138.4° | 180.0° |
| C25 | C24 | H42 | H43 | 116.9° | 120.0° |
| C24 | C25 | C26 | H44 | 122.2° | 120.0° |
| C24 | C25 | C26 | H45 | 123.1° | 120.0° |
| C24 | C25 | H44 | H45 | 116.6° | 120.0° |
| C24 | C25 | C26 | C27 | 162.6° | 180.0° |
| C24 | C25 | C26 | H46 | 40.2° | 60.0° |
| C24 | C25 | C26 | H47 | 74.4° | 60.0° |
| H42 | C24 | C25 | C26 | 61.0° | 60.0° |
| H42 | C24 | C25 | H44 | 176.8° | 179.9° |
| H42 | C24 | C25 | H45 | 62.2° | 60.0° |
| H43 | C24 | C25 | C26 | 176.5° | 60.0° |
| H43 | C24 | C25 | H44 | 61.3° | 60.1° |
| H43 | C24 | C25 | H45 | 53.3° | 180.0° |
| C26 | C25 | H44 | H45 | 116.9° | 120.0° |
| C25 | C26 | C27 | H46 | 122.4° | 120.0° |
| C25 | C26 | C27 | H47 | 123.2° | 120.0° |
| C25 | C26 | H46 | H47 | 116.8° | 120.0° |
| C25 | C26 | C27 | C28 | 44.1° | 180.0° |
| C25 | C26 | C27 | H48 | 79.4° | 60.0° |
| C25 | C26 | C27 | H49 | 165.4° | 60.0° |
| H44 | C25 | C26 | C27 | 40.4° | 60.0° |
| H44 | C25 | C26 | H46 | 82.0° | 180.0° |
| H44 | C25 | C26 | H47 | 163.4° | 60.0° |
| H45 | C25 | C26 | C27 | 74.3° | 60.0° |
| H45 | C25 | C26 | H46 | 163.2° | 60.0° |
| H45 | C25 | C26 | H47 | 48.7° | 180.0° |
| C27 | C26 | H46 | H47 | 116.4° | 120.0° |
| C26 | C27 | C28 | H48 | 123.8° | 120.0° |
| C26 | C27 | C28 | H49 | 120.4° | 120.0° |
| C26 | C27 | H48 | H49 | 116.1° | 120.0° |
| C26 | C27 | C28 | C29 | 128.9° | 180.0° |
| C26 | C27 | C28 | H50 | 111.0° | 59.9° |
| C26 | C27 | C28 | H51 | 5.8° | 60.0° |
| H46 | C26 | C27 | C28 | 78.3° | 60.0° |
| H46 | C26 | C27 | H48 | 158.2° | 180.0° |
| H46 | C26 | C27 | H49 | 43.0° | 60.0° |
| H47 | C26 | C27 | C28 | 167.3° | 60.0° |
| H47 | C26 | C27 | H48 | 43.8° | 60.0° |
| H47 | C26 | C27 | H49 | 71.4° | 180.0° |
| C28 | C27 | H48 | H49 | 117.8° | 120.0° |
| C27 | C28 | C29 | H50 | 120.6° | 120.0° |
| C27 | C28 | C29 | H51 | 123.2° | 120.0° |
| C27 | C28 | H50 | H51 | 118.7° | 119.9° |
| C27 | C28 | C29 | C30 | 58.9° | 180.0° |
| C27 | C28 | C29 | H52 | 179.3° | 60.0° |
| C27 | C28 | C29 | H53 | 64.3° | 60.0° |
| H48 | C27 | C28 | C29 | 107.3° | 60.0° |
| H48 | C27 | C28 | H50 | 12.7° | 180.0° |
| H48 | C27 | C28 | H51 | 129.5° | 60.0° |
| H49 | C27 | C28 | C29 | 8.6° | 60.0° |
| H49 | C27 | C28 | H50 | 128.6° | 60.0° |
| H49 | C27 | C28 | H51 | 114.6° | 180.0° |
| C29 | C28 | H50 | H51 | 117.9° | 120.0° |
| C28 | C29 | C30 | H52 | 120.7° | 120.0° |
| C28 | C29 | C30 | H53 | 123.0° | 120.1° |
| C28 | C29 | H52 | H53 | 118.0° | 120.0° |
| C28 | C29 | C30 | C31 | 43.6° | 180.0° |
| C28 | C29 | C30 | H54 | 78.0° | 60.0° |
| C28 | C29 | C30 | H55 | 164.3° | 59.9° |
| H50 | C28 | C29 | C30 | 179.5° | 60.0° |
| H50 | C28 | C29 | H52 | 60.0° | 179.9° |
| H50 | C28 | C29 | H53 | 56.3° | 60.0° |
| H51 | C28 | C29 | C30 | 64.4° | 60.0° |
| H51 | C28 | C29 | H52 | 56.1° | 60.0° |
| H51 | C28 | C29 | H53 | 172.4° | 180.0° |
| C30 | C29 | H52 | H53 | 118.2° | 120.0° |
| C29 | C30 | C31 | H54 | 121.7° | 120.0° |
| C29 | C30 | C31 | H55 | 121.5° | 120.1° |
| C29 | C30 | H54 | H55 | 119.3° | 120.0° |
| C29 | C30 | C31 | H56 | 97.1° | 180.0° |
| C29 | C30 | C31 | H57 | 143.1° | 60.0° |
| C29 | C30 | C31 | H58 | 23.3° | 60.1° |
| H52 | C29 | C30 | C31 | 77.2° | 60.0° |
| H52 | C29 | C30 | H54 | 161.3° | 180.0° |
| H52 | C29 | C30 | H55 | 43.6° | 60.0° |
| H53 | C29 | C30 | C31 | 166.5° | 59.9° |
| H53 | C29 | C30 | H54 | 45.0° | 60.1° |
| H53 | C29 | C30 | H55 | 72.7° | 180.0° |
| C31 | C30 | H54 | H55 | 117.5° | 120.0° |
| C30 | C31 | H56 | H57 | 121.7° | 120.0° |
| C30 | C31 | H56 | H58 | 122.2° | 119.9° |
| C30 | C31 | H57 | H58 | 121.8° | 120.0° |
| H54 | C30 | C31 | H56 | 24.6° | 60.0° |
| H54 | C30 | C31 | H57 | 95.2° | 60.0° |
| H54 | C30 | C31 | H58 | 145.0° | 180.0° |
| H55 | C30 | C31 | H56 | 141.3° | 59.9° |
| H55 | C30 | C31 | H57 | 21.6° | 180.0° |
| H55 | C30 | C31 | H58 | 98.2° | 60.0° |
| H56 | C31 | H57 | H58 | 116.4° | 120.0° |
